2-(Benzylamino)-3-methylbutanoic acid
Basic information
- CAS
15363-84-5- Standard SMILES
CC(C)C(NCc1ccccc1)C(=O)O- InChIKey
FJBAOZHBRMLMCP-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 2-(Benzylamino)-3-methylbutanoic acid
- IUPAC
- 2-(benzylamino)-3-methylbutanoic acid
- English name
- L-Valine,N-(phenylmethyl)-
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.26888
Names & synonyms
2-(benzylamino)-3-methylbutanoic acid16975-39-6BenzylvalineN-BenzylvalineValine, N-(phenylmethyl)-N-Benzylvaline #Valine, N-benzyl-NSC 86091L-Valine, N-(phenylmethyl)-SCHEMBL8349459FJBAOZHBRMLMCP-UHFFFAOYSA-NALBB-037333
Show more names
N-benzyl-L-valineL-Valine,N-(phenylmethyl)-
NSC860912-Benzylamino-3-methyl-butyric acidMFCD00448597NSC-860912-(benzylamino)-3-methylbutanoicacidAKOS000126237AKOS016283962NCGC00327341-01
Database identifiers
- CAS
15363-84-5- PubChem CID
- 98172
- Nikkaji
- J628.711E
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Chemistry & industry
Upstream & downstream products
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Compound notes
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