3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C11H13ClN2O4 — CID 66173014

IUPAC3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-11(18,9(15)16)6-13-10(17)14-8-5-3-2-4-7(8)12/h2-5,18H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyLAEHCWNYALXNJQ-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.30
Rot. Bonds4

About 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66173014) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66173014
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-11(18,9(15)16)6-13-10(17)14-8-5-3-2-4-7(8)12/h2-5,18H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyLAEHCWNYALXNJQ-UHFFFAOYSA-N
XLogP1.30
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic 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

3-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076471
4-[(2-chlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001350
3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079913
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
2-hydroxy-2-methyl-3-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoylamino]propanoic acid
CID 122086584
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576403
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
CID 95379625
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 66173014) is 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)Nc1ccccc1Cl)C(=O)O.
What is the InChIKey of 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is LAEHCWNYALXNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-11(18,9(15)16)6-13-10(17)14-8-5-3-2-4-7(8)12/h2-5,18H,6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 272.69 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66173014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).