Methyl N-formyl-3-oxo-N-(1-phenylethyl)-alaninate

HCID 44153151

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Basic information

CAS: 83898-12-8
Standard SMILES: COC(=O)[C@H](C=O)N(C=O)C(C)c1ccccc1
InChIKey: YXILPKRGFXXFBH-KFJBMODSSA-N
Molecular formula: C13H15NO4
Average molar mass: 249.26 g/mol
Monoisotopic mass: 249.10010796

Names & identifiers

Preferred name: Methyl N-formyl-3-oxo-N-(1-phenylethyl)-alaninate
IUPAC: methyl (2S)-2-[formyl(1-phenylethyl)amino]-3-oxopropanoate

Names & synonyms

EINECS 281-220-683898-12-8Methyl N-formyl-3-oxo-N-(1-phenylethyl)-alaninateYXILPKRGFXXFBH-KFJBMODSSA-NDTXSID501004028Methyl N-formyl-3-oxo-N-(1-phenylethyl)alaninateMethyl N-formyl-3-oxo-N-(1-phenylethyl)-L-alaninate

Database identifiers

CAS: 83898-12-8
PubChem CID: 44153151
DTXSID: DTXSID501004028
EC Number: 281-220-6

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 63.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 299

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