(2S)-2-methyl-3-{[(1R)-1-phenylethyl]amino}propanoic acid
Basic information
- CAS
64806-47-9- Standard SMILES
C[C@@H](CN[C@H](C)c1ccccc1)C(=O)O- InChIKey
RLDYLNBTVOECPS-VHSXEESVSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- (2S)-2-methyl-3-{[(1R)-1-phenylethyl]amino}propanoic acid
- IUPAC
- (2S)-2-methyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
Names & synonyms
AC1LFID164806-47-9DTXSID00354671(2S)-2-methyl-3-{[(1R)-1-phenylethyl]amino}propanoic acid
Database identifiers
- CAS
64806-47-9- PubChem CID
- 778495
- DTXSID
DTXSID00354671- Nikkaji
- J1.941.774C
Properties
Computed structural properties
- XLogP
- -0.5
- 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
- 200
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Compound notes
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