2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid

C15H21NO3 — CID 103497022

IUPAC2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
SMILESCCCc1ccccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-4-7-12-8-5-6-9-13(12)16-14(17)10(2)11(3)15(18)19/h5-6,8-11H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOCOMATTWUOOOLQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.93
Rot. Bonds6

About 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid

2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid (PubChem CID 103497022) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
PubChem CID103497022
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
SMILESCCCc1ccccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-4-7-12-8-5-6-9-13(12)16-14(17)10(2)11(3)15(18)19/h5-6,8-11H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOCOMATTWUOOOLQ-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic 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

3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
CID 65220763
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid (CID 103497022) is 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid is CCCc1ccccc1NC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid?
The InChIKey is OCOMATTWUOOOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-7-12-8-5-6-9-13(12)16-14(17)10(2)11(3)15(18)19/h5-6,8-11H,4,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid?
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid is sourced from PubChem (CID 103497022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).