3-(2-Hydroxynaphthalen-1-yl)-L-alanine
Basic information
- CAS
911462-27-6- Standard SMILES
N[C@@H](Cc1c(O)ccc2ccccc12)C(=O)O- InChIKey
ULBSHZGEDXSKOL-NSHDSACASA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 3-(2-Hydroxynaphthalen-1-yl)-L-alanine
- IUPAC
- (2S)-2-amino-3-(2-hydroxynaphthalen-1-yl)propanoic acid
Names & synonyms
DTXSID2012267823-(2-Hydroxynaphthalen-1-yl)-L-alanine911462-27-6(I+/-S)-I+/--Amino-2-hydroxy-1-naphthalenepropanoic acid
Database identifiers
- CAS
911462-27-6- PubChem CID
- 131887362
- DTXSID
DTXSID201226782
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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