Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-diethyl ester
Basic information
- CAS
921600-18-2- Standard SMILES
CCOC(=O)C(N[C@@H](C)c1ccccc1)C(=O)OCC- InChIKey
ZLOUCDGERAQFGP-NSHDSACASA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-diethyl ester
- IUPAC
- diethyl 2-[[(1S)-1-phenylethyl]amino]propanedioate
Names & synonyms
921600-18-2Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-diethyl esterDTXSID30470530Diethyl {[(1S)-1-phenylethyl]amino}propanedioate
Database identifiers
- CAS
921600-18-2- PubChem CID
- 11680714
- DTXSID
DTXSID30470530
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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