3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid

C13H24N2O3 — CID 64701514

IUPAC3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(NC(=O)NC(C)(C)CC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-9(10-6-4-5-7-10)14-12(18)15-13(2,3)8-11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyKJYCOCLZVHQEDE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds5

About 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid

3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid (PubChem CID 64701514) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
PubChem CID64701514
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(NC(=O)NC(C)(C)CC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-9(10-6-4-5-7-10)14-12(18)15-13(2,3)8-11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyKJYCOCLZVHQEDE-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic 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

4-(1-cyclopropylethylcarbamoylamino)-4-methylpentanoic acid
CID 62047793
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
CID 64701436
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533
3-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390694
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
3-methyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 64702589
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid (CID 64701514) is 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid is CC(NC(=O)NC(C)(C)CC(=O)O)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid?
The InChIKey is KJYCOCLZVHQEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(10-6-4-5-7-10)14-12(18)15-13(2,3)8-11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid?
3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64701514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).