4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid

C11H14ClNO3 — CID 103236425

IUPAC4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
SMILESCc1ccc(NCC(O)CC(=O)O)c(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-7-2-3-10(9(12)4-7)13-6-8(14)5-11(15)16/h2-4,8,13-14H,5-6H2,1H3,(H,15,16)
InChIKeyWLZAOQGFPPSRSK-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.90
Rot. Bonds5

About 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid

4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid (PubChem CID 103236425) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
PubChem CID103236425
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
SMILESCc1ccc(NCC(O)CC(=O)O)c(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-7-2-3-10(9(12)4-7)13-6-8(14)5-11(15)16/h2-4,8,13-14H,5-6H2,1H3,(H,15,16)
InChIKeyWLZAOQGFPPSRSK-UHFFFAOYSA-N
XLogP1.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic 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-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate
CID 103232249
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
4-(5-tert-butyl-2-methylanilino)-3-hydroxybutanoic acid
CID 115122843
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60901160
2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid?
The IUPAC name of 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid (CID 103236425) is 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid is Cc1ccc(NCC(O)CC(=O)O)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid?
The InChIKey is WLZAOQGFPPSRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7-2-3-10(9(12)4-7)13-6-8(14)5-11(15)16/h2-4,8,13-14H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid?
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid has a molecular weight of 243.69 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid is sourced from PubChem (CID 103236425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).