1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 115436439

IUPAC1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC1CCCC1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3/c15-11-6-4-5-10(11)12(17)16-9-14(13(18)19)7-2-1-3-8-14/h10-11H,1-9,15H2,(H,16,17)(H,18,19)
InChIKeySIZIAHIAIHJPTO-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.27
Rot. Bonds4

About 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436439) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436439
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC1CCCC1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3/c15-11-6-4-5-10(11)12(17)16-9-14(13(18)19)7-2-1-3-8-14/h10-11H,1-9,15H2,(H,16,17)(H,18,19)
InChIKeySIZIAHIAIHJPTO-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 115360185
2-amino-N-[(1-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103812983
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103810853
1-[[[2-(aminomethyl)cyclopentanecarbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442593
2-amino-N-[(1-propylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103813071
1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434096
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
1-[(thiolane-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309618
1-[(thiolane-2-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443450
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
CID 112702843

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115436439) is 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid is NC1CCCC1C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is SIZIAHIAIHJPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-11-6-4-5-10(11)12(17)16-9-14(13(18)19)7-2-1-3-8-14/h10-11H,1-9,15H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).