3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid

C9H8ClNO4 — CID 150243688

IUPAC3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
SMILESNC(=O)C(O)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO4/c10-6-3-1-5(2-4-6)9(15,7(11)12)8(13)14/h1-4,15H,(H2,11,12)(H,13,14)
InChIKeyFYBFHJHTIJAYSO-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.10
Rot. Bonds3

About 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid

3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid (PubChem CID 150243688) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
PubChem CID150243688
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
SMILESNC(=O)C(O)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO4/c10-6-3-1-5(2-4-6)9(15,7(11)12)8(13)14/h1-4,15H,(H2,11,12)(H,13,14)
InChIKeyFYBFHJHTIJAYSO-UHFFFAOYSA-N
XLogP0.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic 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

2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
2-carbamoyl-2-[4-(4-chlorophenyl)phenyl]-3-ethylpentanoic acid
CID 142651159
2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide
CID 71773610
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
(3R)-3-(4-chlorophenyl)-3-hydroxypentanamide
CID 100919587
2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid
CID 105490300
4-chloro(13C)benzoic acid
CID 66995527
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid?
The IUPAC name of 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid (CID 150243688) is 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid is NC(=O)C(O)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid?
The InChIKey is FYBFHJHTIJAYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4/c10-6-3-1-5(2-4-6)9(15,7(11)12)8(13)14/h1-4,15H,(H2,11,12)(H,13,14).
What are the key properties of 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid?
3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid has a molecular weight of 229.62 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid is sourced from PubChem (CID 150243688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).