4-Amino-3-methylbutanoic acid
Basic information
- CAS
71135-23-4- Standard SMILES
CC(CN)CC(=O)O- InChIKey
CZGLBWZXGIAIBU-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Overview
4-amino-3-methylbutanoic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
Names & identifiers
- Preferred name
- 4-Amino-3-methylbutanoic acid
- IUPAC
- 4-amino-3-methylbutanoic acid
- English name
- Butanoic acid, 4-amino-3-methyl-
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15
Names & synonyms
4-amino-3-methylbutanoic acid71135-23-4Butanoic acid, 4-amino-3-methyl-Biomol-NT_0002311X-Aminomethylathylessigsaure4-amino-3-methyl-butyric acidCHEMBL275655SCHEMBL1118762SCHEMBL8905984CHEBI:93881DTXSID601360203EBC-46206
Show more names
AKOS006342392(+/-)-4-Amino-3-methylbutanoic acidNCGC00163283-01PD063436CS-0020588EN300-111653SR-01000597934SR-01000597934-1
Database identifiers
- CAS
71135-23-4- PubChem CID
- 3539719
- DTXSID
DTXSID601360203- ChEMBL
CHEMBL275655- ChEBI
CHEBI:93881- Nikkaji
- J258.866H
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.5
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 204 °C · 204 °C
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.10(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 4-amino-3-methylbutanoic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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