3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid

C12H14ClNO3 — CID 43240713

IUPAC3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-8(6-12(16)17)14-11(15)7-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyHJSLTZJRMXYWFW-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.86
Rot. Bonds5

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

3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid (PubChem CID 43240713) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
PubChem CID43240713
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-8(6-12(16)17)14-11(15)7-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyHJSLTZJRMXYWFW-UHFFFAOYSA-N
XLogP1.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444
2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 43175926
3-[(2-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 3280554
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961
2-(2-chlorophenyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100630978
N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide
CID 24543034
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
(3S)-4-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 53341193
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid (CID 43240713) is 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cc1ccccc1Cl.
What is the InChIKey of 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid?
The InChIKey is HJSLTZJRMXYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8(6-12(16)17)14-11(15)7-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid?
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid has a molecular weight of 255.70 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43240713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).