1-Piperazineacetic acid, 4-(2-((1-methylethyl)amino)-2-oxoacethyl)-alpha-(2-oxo-2-phenylethyl)-
Basic information
- CAS
40513-14-2- Standard SMILES
CC(C)NC(=O)CN1CCN(C(CC(=O)c2ccccc2)C(=O)O)CC1- InChIKey
LTELGWDDZXACMD-UHFFFAOYSA-N- Molecular formula
- C19H27N3O4
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.20015635
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-(2-((1-methylethyl)amino)-2-oxoacethyl)-alpha-(2-oxo-2-phenylethyl)-
- IUPAC
- 4-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-4-phenylbutanoic acid
Names & synonyms
40513-14-2alpha-(Isopropylaminocarbonylmethyl-4 piperazino-1) beta-benzoyl propionique acide [French]1-Piperazineacetic acid, 4-(2-((1-methylethyl)amino)-2-oxoacethyl)-alpha-(2-oxo-2-phenylethyl)-alpha-(Isopropylaminocarbonylmethyl-4 piperazino-1) beta-benzoyl propionique acideRefChem:233377DTXSID909609222-(4-{2-Hydroxy-2-[(propan-2-yl)imino]ethyl}piperazin-1-yl)-4-oxo-4-phenylbutanoic acid
Database identifiers
- CAS
40513-14-2- PubChem CID
- 218359
- DTXSID
DTXSID90960922
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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