3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 66030768

IUPAC3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNC1CCCCC1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h8-11H,1-7,14H2,(H,15,16)(H,17,18)
InChIKeyAEZQAXVDFQIQPF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.87
Rot. Bonds3

About 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid

3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030768) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030768
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNC1CCCCC1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h8-11H,1-7,14H2,(H,15,16)(H,17,18)
InChIKeyAEZQAXVDFQIQPF-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-aminocyclohexanecarbonyl)amino]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

2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 66030768) is 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid is NC1CCCCC1C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AEZQAXVDFQIQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h8-11H,1-7,14H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).