(S)-3-Amino-3-(naphthalen-2-yl)propanoic acid
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Basic information
- CAS
767282-94-0- Standard SMILES
N[C@@H](CC(=O)O)c1ccc2ccccc2c1- InChIKey
JASNXOXPNZWQRV-LBPRGKRZSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- (S)-3-Amino-3-(naphthalen-2-yl)propanoic acid
- IUPAC
- (3S)-3-amino-3-naphthalen-2-ylpropanoic acid
- English name
- (S)-3-AMINO-3-(2-NAPHTHYL)-PROPIONIC ACID
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
767282-94-0(S)-3-Amino-3-(naphthalen-2-yl)propanoic acid(S)-3-Amino-3-(2-naphthyl)-propionic acidMFCD04113680(3S)-3-amino-3-naphthalen-2-ylpropanoic acidH-BETA-ALA-(2-NAPHTHYL)-OH(3S)-3-AMINO-3-(NAPHTHALEN-2-YL)PROPANOIC ACID(s)-3-amino-3-(2-naphthyl)propanoic acid(S)-3-Amino-3-(naphthalen-2-yl)propanoicacidH-b-Ala-(2-naphthyl)-OHH-|A-Ala-(2-Naphthyl)-OHSCHEMBL21690086
Show more names
S-β-2-Nalβ-(2-Naphthyl)-D-β-homoglycine2-Naphthalenepropanoic acid, β-amino-, (βS)-(S)-3-AMINO-3-NAPHTHALEN-2-YL-PROPIONIC ACID
DTXSID20426849H-D-NPG(2)-(C*CH2)-OHAKOS016844067H-D-GLY(2-NAPH)-(C*CH2)OHPS-12507SY256019DS-019322(3S)-3-azaniumyl-3-(2-naphthyl)propanoate
Database identifiers
- CAS
767282-94-0- PubChem CID
- 7016475
- DTXSID
DTXSID20426849
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 227 · 227-229 °C
- Boiling point
- 412.3 · 412.3±33.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.43 · 3.43±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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