N-(3,4-dichlorophenyl)alanine 4-methylpentyl Ester

HCID 53799568
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Basic information

Standard SMILES
CC(C)CCCOC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1
InChIKey
FHLOCGHXGFCURL-NSHDSACASA-N
Molecular formula
C15H21Cl2NO2
Average molar mass
318.2 g/mol

Names & identifiers

Preferred name
N-(3,4-dichlorophenyl)alanine 4-methylpentyl Ester
IUPAC
4-methylpentyl (2S)-2-(3,4-dichloroanilino)propanoate

Names & synonyms

SCHEMBL4415053FHLOCGHXGFCURL-NSHDSACASA-NN-(3,4-dichlorophenyl)alanine 4-methylpentyl Ester

Database identifiers

PubChem CID
53799568

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
20

Related reactions

15 records
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Linked notes

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