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

C12H14ClNO4 — CID 43175926

IUPAC2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-7(15)11(12(17)18)14-10(16)6-8-4-2-3-5-9(8)13/h2-5,7,11,15H,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyJXUWHXRDKOIDPN-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.83
Rot. Bonds5

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

2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 43175926) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
PubChem CID43175926
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-7(15)11(12(17)18)14-10(16)6-8-4-2-3-5-9(8)13/h2-5,7,11,15H,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyJXUWHXRDKOIDPN-UHFFFAOYSA-N
XLogP0.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 61182988
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79011146
2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid
CID 43238727
(2S,3R)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid
CID 104964640
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207
3-hydroxy-2-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 43235600
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
2-(2-chlorophenyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 27758673

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid (CID 43175926) is 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is JXUWHXRDKOIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-7(15)11(12(17)18)14-10(16)6-8-4-2-3-5-9(8)13/h2-5,7,11,15H,6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid?
2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 271.70 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43175926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).