2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid

C15H21NO3 — CID 103496084

IUPAC2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
SMILESCC(C)c1ccccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)12-7-5-6-8-13(12)16-14(17)10(3)11(4)15(18)19/h5-11H,1-4H3,(H,16,17)(H,18,19)
InChIKeyOJDYTVMNMLRTQM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.11
Rot. Bonds5

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

2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid (PubChem CID 103496084) 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-propan-2-ylanilino)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
PubChem CID103496084
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
SMILESCC(C)c1ccccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)12-7-5-6-8-13(12)16-14(17)10(3)11(4)15(18)19/h5-11H,1-4H3,(H,16,17)(H,18,19)
InChIKeyOJDYTVMNMLRTQM-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)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

2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
4-[2-(difluoromethylsulfanyl)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496077
(2S)-3,3-dimethyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61182098
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid (CID 103496084) is 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid is CC(C)c1ccccc1NC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid?
The InChIKey is OJDYTVMNMLRTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(2)12-7-5-6-8-13(12)16-14(17)10(3)11(4)15(18)19/h5-11H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid?
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.11, 5 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-propan-2-ylanilino)butanoic acid is sourced from PubChem (CID 103496084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).