| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:51:38 UTC |
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| Update Date | 2020-04-22 15:09:53 UTC |
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| BMDB ID | BMDB0002141 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | N-Methyl-a-aminoisobutyric acid |
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| Description | N-Methyl-a-aminoisobutyric acid, also known as 2-(methylamino)isobutyrate, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). N-Methyl-a-aminoisobutyric acid is a drug. Based on a literature review a significant number of articles have been published on N-Methyl-a-aminoisobutyric acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-(Methylamino)isobutyric acid | ChEBI | | 2-(Methylamino)isobutyrate | Generator | | N-Methyl-a-aminoisobutyrate | Generator | | N-Methylaminoisobutyric acid | ChEMBL, HMDB | | N-Methylaminoisobutyrate | Generator, HMDB | | N-Methyl-alpha-aminoisobutyrate | HMDB, Generator | | N-Methyl-alpha-aminoisobutyric acid | HMDB | | N-(methylamino)Isobutyric acid | MeSH, HMDB | | AMAIB | MeSH, HMDB | | N-Methyl alpha-aminoisobutyric acid | MeSH, HMDB | | alpha-Methylaminoisobutyrate | MeSH, HMDB | | alpha-(methylamino)Isobutyrate | MeSH, Generator, HMDB | | a-(Methylamino)isobutyrate | Generator, HMDB | | a-(Methylamino)isobutyric acid | Generator, HMDB | | Α-(methylamino)isobutyrate | Generator, HMDB | | Α-(methylamino)isobutyric acid | Generator, HMDB | | N-Methyl-a-aminoisobutyric acid | Generator | | N-Methyl-α-aminoisobutyrate | Generator, HMDB | | N-Methyl-α-aminoisobutyric acid | Generator, HMDB |
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| Chemical Formula | C5H11NO2 |
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| Average Molecular Weight | 117.1463 |
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| Monoisotopic Molecular Weight | 117.078978601 |
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| IUPAC Name | 2-methyl-2-(methylamino)propanoic acid |
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| Traditional Name | 2-(methylamino)isobutyric acid |
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| CAS Registry Number | 2566-34-9 |
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| SMILES | CNC(C)(C)C(O)=O |
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| InChI Identifier | InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) |
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| InChI Key | DLAMVQGYEVKIRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Alpha amino acids |
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| Alternative Parents | |
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| Substituents | - Alpha-amino acid
- Amino acid
- Carboxylic acid
- Secondary aliphatic amine
- Monocarboxylic acid or derivatives
- Secondary amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 300 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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