2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 83213565

IUPAC2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H26N2O3/c1-14(13(19)20)7-3-2-6-11(14)17-12(18)15(10-16)8-4-5-9-15/h11H,2-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyQMRWQTLTKOOHPB-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.66
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83213565) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83213565
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H26N2O3/c1-14(13(19)20)7-3-2-6-11(14)17-12(18)15(10-16)8-4-5-9-15/h11H,2-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyQMRWQTLTKOOHPB-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202
1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83213709
1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763836
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
CID 80598201
2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213560
2-[(3-aminooxolane-3-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213780
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119819128

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid (CID 83213565) is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is QMRWQTLTKOOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(13(19)20)7-3-2-6-11(14)17-12(18)15(10-16)8-4-5-9-15/h11H,2-10,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83213565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).