4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid

C12H14Cl2N2O4 — CID 66002599

IUPAC4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)Nc1cccc(Cl)c1Cl)CC(=O)O
InChIInChI=1S/C12H14Cl2N2O4/c1-12(20,5-9(17)18)6-15-11(19)16-8-4-2-3-7(13)10(8)14/h2-4,20H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPDOPQESBAHUEFK-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.34
Rot. Bonds5

About 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid

4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002599) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66002599
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Name4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)Nc1cccc(Cl)c1Cl)CC(=O)O
InChIInChI=1S/C12H14Cl2N2O4/c1-12(20,5-9(17)18)6-15-11(19)16-8-4-2-3-7(13)10(8)14/h2-4,20H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPDOPQESBAHUEFK-UHFFFAOYSA-N
XLogP2.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic 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

4-[(2-chlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001350
4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001204
4-[(2-cyano-3-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 107799923
3-hydroxy-3-methyl-4-[(2-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 107642376
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
4-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001200
4-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002615
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003499
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid (CID 66002599) is 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)Nc1cccc(Cl)c1Cl)CC(=O)O.
What is the InChIKey of 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is PDOPQESBAHUEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-12(20,5-9(17)18)6-15-11(19)16-8-4-2-3-7(13)10(8)14/h2-4,20H,5-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 321.16 g/mol, XLogP of 2.34, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).