2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 79526837

IUPAC2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESNCC1CCC(C(=O)NC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c15-8-9-4-6-10(7-5-9)13(17)16-12-3-1-2-11(12)14(18)19/h9-12H,1-8,15H2,(H,16,17)(H,18,19)
InChIKeyRLIYSXLWUBPHMY-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.12
Rot. Bonds4

About 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 79526837) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID79526837
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESNCC1CCC(C(=O)NC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c15-8-9-4-6-10(7-5-9)13(17)16-12-3-1-2-11(12)14(18)19/h9-12H,1-8,15H2,(H,16,17)(H,18,19)
InChIKeyRLIYSXLWUBPHMY-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 81489736
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814811
4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
CID 104694630
trans-(1R,2R)-2-(cyclopent-3-ene-1-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161395
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
CID 15534342

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 79526837) is 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is NCC1CCC(C(=O)NC2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RLIYSXLWUBPHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-8-9-4-6-10(7-5-9)13(17)16-12-3-1-2-11(12)14(18)19/h9-12H,1-8,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79526837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).