2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid

C13H16ClNO4 — CID 62503567

IUPAC2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-19-6-5-11(13(17)18)15-12(16)8-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIYXIGYNRHQIZIQ-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.49
Rot. Bonds7

About 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid

2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid (PubChem CID 62503567) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
PubChem CID62503567
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-19-6-5-11(13(17)18)15-12(16)8-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIYXIGYNRHQIZIQ-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methoxybutanoic acid
CID 62480716
2-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 120702084
N-(1-bromo-4-methoxybutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 114212001
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
CID 120703020
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]-4-methoxybutanoic acid
CID 120701937
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820137
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 81077193

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid (CID 62503567) is 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)Cc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid?
The InChIKey is IYXIGYNRHQIZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-19-6-5-11(13(17)18)15-12(16)8-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid?
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid has a molecular weight of 285.73 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62503567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).