2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid

C14H20ClNO2 — CID 150363705

IUPAC2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
SMILESCC(CC(C)(N)C(=O)O)C(C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(8-14(3,16)13(17)18)10(2)11-6-4-5-7-12(11)15/h4-7,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyGWGDESGXTVNJTH-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.27
Rot. Bonds5

About 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid

2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid (PubChem CID 150363705) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
PubChem CID150363705
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
SMILESCC(CC(C)(N)C(=O)O)C(C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(8-14(3,16)13(17)18)10(2)11-6-4-5-7-12(11)15/h4-7,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyGWGDESGXTVNJTH-UHFFFAOYSA-N
XLogP3.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic 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-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
CID 151150433
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
CID 150114783
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151716551
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylpentanoic acid
CID 64704573
2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 151193828
2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
CID 150425613
3-(2-chlorophenyl)butanoic acid
CID 54775987
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
2-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentanoic acid
CID 64709886

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid?
The IUPAC name of 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid (CID 150363705) is 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid.
What is the SMILES notation for 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid?
The canonical SMILES for 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid is CC(CC(C)(N)C(=O)O)C(C)c1ccccc1Cl.
What is the InChIKey of 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid?
The InChIKey is GWGDESGXTVNJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(8-14(3,16)13(17)18)10(2)11-6-4-5-7-12(11)15/h4-7,9-10H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid?
2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid has a molecular weight of 269.77 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid is sourced from PubChem (CID 150363705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).