Record Information
Version1.0
Creation Date2016-09-30 23:05:14 UTC
Update Date2020-05-11 20:40:41 UTC
BMDB IDBMDB0003551
Secondary Accession Numbers
  • BMDB03551
Metabolite Identification
Common NameCarbamic acid
DescriptionCarbamic acid, also known as aminoformic acid or carbamate, belongs to the class of organic compounds known as organic carbonic acids and derivatives. Organic carbonic acids and derivatives are compounds comprising the organic carbonic acid or a derivative thereof. Carbamic acid exists in all living organisms, ranging from bacteria to humans. Based on a literature review a significant number of articles have been published on Carbamic acid.
Structure
Thumb
Synonyms
ValueSource
AminoameisensaeureChEBI
Aminoformic acidChEBI
CarbamateChEBI
CarbamidsaeureChEBI
AminoformateGenerator
Carbamate ionHMDB
Chlorphenesin carbamateHMDB
MaolateHMDB
Calcium carbamateMeSH, HMDB
Carbamic acid, potassium saltMeSH, HMDB
Carbamic acid, sodium saltMeSH, HMDB
Sodium carbamateMeSH, HMDB
Ammonium carbamateMeSH, HMDB
Carbamic acid, ammonia saltMeSH, HMDB
Carbamic acid, calcium saltMeSH, HMDB
Potassium carbamateMeSH, HMDB
Chemical FormulaCH3NO2
Average Molecular Weight61.04
Monoisotopic Molecular Weight61.016378345
IUPAC Namecarbamic acid
Traditional Namecarbamic acid
CAS Registry Number463-77-4
SMILES
NC(O)=O
InChI Identifier
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
InChI KeyKXDHJXZQYSOELW-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as organic carbonic acids and derivatives. Organic carbonic acids and derivatives are compounds comprising the organic carbonic acid or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassNot Available
Direct ParentOrganic carbonic acids and derivatives
Alternative Parents
Substituents
  • Carbonic acid derivative
  • Carbamic acid derivative
  • Carbamic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.1ALOGPS
logP-0.56ChemAxon
logS0.79ALOGPS
pKa (Strongest Acidic)3.92ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.32 m³·mol⁻¹ChemAxon
Polarizability4.68 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Neuron
  • Placenta
  • Semen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
NeuronExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
SemenDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0003551
DrugBank IDDB04261
Phenol Explorer Compound IDNot Available
FooDB IDFDB023195
KNApSAcK IDC00016003
Chemspider ID271
KEGG Compound IDC01563
BioCyc IDCARBAMATE
BiGG IDNot Available
Wikipedia LinkCarbamic_acid
METLIN ID6950
PubChem Compound277
PDB IDNot Available
ChEBI ID28616
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available