(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate

C17H15ClNO4- — CID 6926091

IUPAC(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
SMILESCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO4/c1-23-14-4-2-3-12(9-14)17(22)19-15(10-16(20)21)11-5-7-13(18)8-6-11/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1/t15-/m0/s1
InChIKeyFZNQSVNMZZJDHX-HNNXBMFYSA-M
MW332.76 g/mol
LogP1.96
Rot. Bonds6

About (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate

(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate (PubChem CID 6926091) has the molecular formula C17H15ClNO4- and a molecular weight of 332.76 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
PubChem CID6926091
Molecular FormulaC17H15ClNO4-
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
SMILESCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO4/c1-23-14-4-2-3-12(9-14)17(22)19-15(10-16(20)21)11-5-7-13(18)8-6-11/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1/t15-/m0/s1
InChIKeyFZNQSVNMZZJDHX-HNNXBMFYSA-M
XLogP1.96
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441
(3S)-3-(3-chlorophenyl)-3-[(4-methoxy-2-methylsulfanylbenzoyl)amino]propanoate
CID 7319187
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
CID 55775972
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
CID 7310460
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate?
The IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate (CID 6926091) is (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate is COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate?
The InChIKey is FZNQSVNMZZJDHX-HNNXBMFYSA-M. The full InChI is InChI=1S/C17H16ClNO4/c1-23-14-4-2-3-12(9-14)17(22)19-15(10-16(20)21)11-5-7-13(18)8-6-11/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1/t15-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate?
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate has a molecular weight of 332.76 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 6926091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).