N-(3-phenylpropionyl)-D,L-alanine Isobutyl Ester

HCID 15480461
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Basic information

Standard SMILES
CC(C)COC(=O)C(C)NC(=O)CCc1ccccc1
InChIKey
QASLNYVQMCHYCP-UHFFFAOYSA-N
Molecular formula
C16H23NO3
Average molar mass
277.36 g/mol

Names & identifiers

Preferred name
N-(3-phenylpropionyl)-D,L-alanine Isobutyl Ester
IUPAC
2-methylpropyl 2-(3-phenylpropanoylamino)propanoate

Names & synonyms

SCHEMBL4417143QASLNYVQMCHYCP-UHFFFAOYSA-Nn-(3-phenylpropionyl)-d,l alanine iso-butyl esterN-(3-phenylpropionyl)-D,L-alanine Isobutyl EsterN-(3phenylpropionyl)-D,L-alanine Iso-butyl EsterN-(3-phenylpropionyl)-D,L-alanine iso-butyl ester

Database identifiers

PubChem CID
15480461

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
20

Related reactions

23 records
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Compound notes

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