5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid

C14H19NO3 — CID 59823931

IUPAC5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid
SMILESCc1ccccc1N(C)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10(9-14(17)18)8-13(16)15(3)12-7-5-4-6-11(12)2/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyBDJGRBIZPJOBAJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.46
Rot. Bonds5

About 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid

5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid (PubChem CID 59823931) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid
PubChem CID59823931
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid
SMILESCc1ccccc1N(C)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10(9-14(17)18)8-13(16)15(3)12-7-5-4-6-11(12)2/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyBDJGRBIZPJOBAJ-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic 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

7-(N,2-dimethylanilino)-7-oxoheptanoic acid
CID 59823939
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611
methyl-(2-methylphenyl)carbamic acid;pentanoic acid
CID 175069185
5-(2,6-dimethylphenyl)-3-methyl-5-oxopentanoic acid
CID 24727249
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
CID 82777293

Frequently Asked Questions

What is the IUPAC name of 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid (CID 59823931) is 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid is Cc1ccccc1N(C)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid?
The InChIKey is BDJGRBIZPJOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(9-14(17)18)8-13(16)15(3)12-7-5-4-6-11(12)2/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid?
5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 59823931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).