Methylcarbamic acid
Basic information
- CAS
6414-57-9- Standard SMILES
CNC(=O)O- InChIKey
UFEJKYYYVXYMMS-UHFFFAOYSA-N- Molecular formula
- C2H5NO2
- Average molar mass
- 75.07 g/mol
- Monoisotopic mass
- 75.0320284
Overview
Methylcarbamic acid is an amino acid consisting of carbamic acid having an N-methyl substituent. It has a role as a bacterial xenobiotic metabolite. It is functionally related to a carbamic acid. It is a conjugate acid of a methylcarbamate.
Names & identifiers
- Preferred name
- Methylcarbamic acid
- IUPAC
- methylcarbamic acid
- English name
- N-methylcarbamate
- Molecular formula
- C2H5NO2
- Molecular weight
- 75.07
Names & synonyms
Methylcarbamic acidN-methylcarbamic acidN-MethylcarbamateMonomethyl carbamate6414-57-93ALL2Y8QYFCHEBI:45379DTXSID70872271RefChem:925778DTXCID60819872MethylcarbamidsaeureN-methyl carbamate ester
Show more names
N-methyl-carbamic acidCarbamic acid, N-methyl-
Carbamic acid, methyl-UNII-3ALL2Y8QYFan N-methyl carbamate esterSCHEMBL41154SCHEMBL42167SCHEMBL87727SCHEMBL1189824SCHEMBL4826534
Database identifiers
- CAS
6414-57-9- PubChem CID
- 30536
- DTXSID
DTXSID70872271- ChEBI
CHEBI:45379- UNII
- 3ALL2Y8QYF
- Nikkaji
- J549.572E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42.9
Physicochemical properties
- FDA UNII
- 3 ALL2Y8QYF · 3ALL2Y8QYF
Chemistry & industry
Additional notes
DefinitionChEBI: Methylcarbamic acid is an amino acid consisting of carbamic acid having an N-methyl substituent. It has a role as a bacterial xenobiotic metabolite. It is functionally related to a carbamic acid. It is a conjugate acid of a methylcarbamate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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