(R)-2-Amino-3-(4-carbamoylphenyl)propanoic acid
Basic information
- CAS
1217609-39-6- Standard SMILES
NC(=O)c1ccc(C[C@@H](N)C(=O)O)cc1- InChIKey
OZVAXCWACWDNIQ-MRVPVSSYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- (R)-2-Amino-3-(4-carbamoylphenyl)propanoic acid
- IUPAC
- (2R)-2-amino-3-(4-carbamoylphenyl)propanoic acid
- English name
- (2R)-2-amino-3-(4-carbamoylphenyl)propanoic acid
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
1217609-39-6(R)-2-Amino-3-(4-carbamoylphenyl)propanoic acid(2R)-2-amino-3-(4-carbamoylphenyl)propanoic AcidD-4-CarbamoylpheD-4-CARBAMOYLPHENYLALANINEMFCD06659105(2R)-2-azaniumyl-3-(4-carbamoylphenyl)propanoate4-Carbamoyl-D-phenylalanineD-Phenylalanine, 4-(aminocarbonyl)-(R)-2-Amino-3-(4-carbamoylphenyl)propanoicacidSCHEMBL21690013DTXSID00428043
Show more names
2-amino-3-(4-mercaptophenyl)propanoic acid
AKOS016844164PS-12793DB-254364CS-0363156G84969D-4-Carbamoylphenylalanine (H-D-Phe(4-CONH2)-OH)
Database identifiers
- CAS
1217609-39-6- PubChem CID
- 7146232
- DTXSID
DTXSID00428043
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 444.6 · 444.6±40.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.17 · 2.17±0.10(Predicted)
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Compound notes
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