4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid

C13H15Cl2NO4 — CID 66003499

IUPAC4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)Cc1c(Cl)cccc1Cl)CC(=O)O
InChIInChI=1S/C13H15Cl2NO4/c1-13(20,6-12(18)19)7-16-11(17)5-8-9(14)3-2-4-10(8)15/h2-4,20H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyREFKQJJTPWEWBH-UHFFFAOYSA-N
MW320.17 g/mol
LogP1.88
Rot. Bonds6

About 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid

4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66003499) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66003499
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Name4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)Cc1c(Cl)cccc1Cl)CC(=O)O
InChIInChI=1S/C13H15Cl2NO4/c1-13(20,6-12(18)19)7-16-11(17)5-8-9(14)3-2-4-10(8)15/h2-4,20H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyREFKQJJTPWEWBH-UHFFFAOYSA-N
XLogP1.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-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-(4-chlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001714
3-hydroxy-3-methyl-4-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 66002915
4-[[2-(3-fluorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002331
3-hydroxy-3-methyl-4-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 66000943
4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002599
4-[3-(2-chlorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002321
4-[(2-chlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001350
3-hydroxy-3-methyl-4-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 66001150
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117
4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003114

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid (CID 66003499) is 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)Cc1c(Cl)cccc1Cl)CC(=O)O.
What is the InChIKey of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is REFKQJJTPWEWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-13(20,6-12(18)19)7-16-11(17)5-8-9(14)3-2-4-10(8)15/h2-4,20H,5-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 320.17 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66003499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).