(3R)-3-amino-3-(4-ethylphenyl)propanoic acid
Basic information
- CAS
1196690-95-5- Standard SMILES
CCc1ccc([C@H](N)CC(=O)O)cc1- InChIKey
CZOSHSPOVINZEF-SNVBAGLBSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- (3R)-3-amino-3-(4-ethylphenyl)propanoic acid
- IUPAC
- (3R)-3-amino-3-(4-ethylphenyl)propanoic acid
- English name
- (3R)-3-Amino-3-(4-ethylphenyl)propanoic acid
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
1196690-95-5(3R)-3-amino-3-(4-ethylphenyl)propanoic acid(R)-3-AMINO-3-(4-ETHYLPHENYL)PROPANOIC ACIDSCHEMBL5721008DTXSID401269681(I(2)R)-I(2)-Amino-4-ethylbenzenepropanoic acid(R)-3-amino-3-(3-ethylphenyl)propanoic acidBenzenepropanoic acid, β-amino-4-ethyl-, (βR)-
Database identifiers
- CAS
1196690-95-5- PubChem CID
- 737270
- DTXSID
DTXSID401269681
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 219.6 · 219.6-220.7 °C
- Boiling point
- 340 · 340.0±30.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 3.71 · 3.71±0.10(Predicted)
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Compound notes
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