4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid

C11H19NO3 — CID 43529328

IUPAC4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-11(4-2,10(14)15)7-9(13)12-8-5-6-8/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGRTOYRFIISHODZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds6

About 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid

4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid (PubChem CID 43529328) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
PubChem CID43529328
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-11(4-2,10(14)15)7-9(13)12-8-5-6-8/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGRTOYRFIISHODZ-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(cyclopropylamino)-2,2-diethyl-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

2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 43529702
4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 60941523
4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
CID 79377280
4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61403433
2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 64921913
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431044
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 63994833
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653225

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid (CID 43529328) is 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is GRTOYRFIISHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-11(4-2,10(14)15)7-9(13)12-8-5-6-8/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid?
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 43529328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).