2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid

C13H16ClNO4 — CID 43388208

IUPAC2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-3-10(13(17)18)15-12(16)7-8-6-9(14)4-5-11(8)19-2/h4-6,10H,3,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKBVFEPMNHYTWPO-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.87
Rot. Bonds6

About 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid

2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid (PubChem CID 43388208) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
PubChem CID43388208
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-3-10(13(17)18)15-12(16)7-8-6-9(14)4-5-11(8)19-2/h4-6,10H,3,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKBVFEPMNHYTWPO-UHFFFAOYSA-N
XLogP1.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61143813
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid (CID 43388208) is 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid is CCC(NC(=O)Cc1cc(Cl)ccc1OC)C(=O)O.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid?
The InChIKey is KBVFEPMNHYTWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-3-10(13(17)18)15-12(16)7-8-6-9(14)4-5-11(8)19-2/h4-6,10H,3,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid?
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid has a molecular weight of 285.73 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43388208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).