1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 114548885

IUPAC1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-5-10(8-9)14-12(18)15-13(11(16)17)6-2-3-7-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyBMQAJZXKUYNCNQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.87
Rot. Bonds3

About 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114548885) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114548885
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-5-10(8-9)14-12(18)15-13(11(16)17)6-2-3-7-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyBMQAJZXKUYNCNQ-UHFFFAOYSA-N
XLogP1.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic 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

1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
CID 114548722
1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82728325
1-[(1,1-dioxothiolan-3-yl)carbamoylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61180971
3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 62410921
4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293206
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
1-[(3-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167297
1-amino-3-(3-methylcyclopentyl)urea
CID 114549381

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 114548885) is 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC1CCC(NC(=O)NC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is BMQAJZXKUYNCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-4-5-10(8-9)14-12(18)15-13(11(16)17)6-2-3-7-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114548885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).