2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic Acid
Basic information
- CAS
80828-26-8- Standard SMILES
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)O- InChIKey
CEIWXEQZZZHLDM-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- 2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic Acid
- IUPAC
- 2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
- English name
- Benzenebutanoicacid,-[[(1S)-1-carboxyethyl]amino]-,monoethylester,hydrochloride,(S)-(9CI)
- Molecular formula
- C15H21NO4.ClH
- Molecular weight
- 315.79
Names & synonyms
2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid80828-26-82-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic Acid90988-18-4Benzenebutanoicacid,-[[(1S)-1-carboxyethyl]amino]-,monoethylester,hydrochloride,(S)-(9CI)N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanineSCHEMBL2897972DTXSID10396168AB04805PD065490EN300-718552N-(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)alanine
Show more names
4-[2-(1-Carboxy-ethylamino)-phenyl]-butyric acid ethylester(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid(as)-a-(((1s)-1-carboxyethyl)amino)benzenebutanoic acid 1-ethyl ester(aS)-a-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic acid 1-ethyl ester hydrochlorideBenzenebutanoic acid,-[[(1S)-1-carboxyethyl]amino]-, monoethyl ester, hydrochloride, (S)-
ethyl-alpha-(1-carboxyethyl)amino-gamma-phenylbutyrateN-[(S)-(+)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine
Database identifiers
- CAS
80828-26-8- PubChem CID
- 3769726
- DTXSID
DTXSID10396168- Nikkaji
- J479.761B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Related reactions
11 records
Compound notes
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