4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C14H25NO3 — CID 103496143

IUPAC4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC1CCCC(NC(=O)C(C)C(C)C(=O)O)C1C
InChIInChI=1S/C14H25NO3/c1-8-6-5-7-12(9(8)2)15-13(16)10(3)11(4)14(17)18/h8-12H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyXBVBOCMEIPIFOZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.28
Rot. Bonds4

About 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103496143) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103496143
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC1CCCC(NC(=O)C(C)C(C)C(=O)O)C1C
InChIInChI=1S/C14H25NO3/c1-8-6-5-7-12(9(8)2)15-13(16)10(3)11(4)14(17)18/h8-12H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyXBVBOCMEIPIFOZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic 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-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 103496162
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 11933092
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 11933094
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80540743
N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880741
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 3501377
3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64916472
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103496143) is 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC1CCCC(NC(=O)C(C)C(C)C(=O)O)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is XBVBOCMEIPIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8-6-5-7-12(9(8)2)15-13(16)10(3)11(4)14(17)18/h8-12H,5-7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103496143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).