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

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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).