2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 64817389

IUPAC2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCC(N)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-3-7-10(14)12(16)15-11-8-5-4-6-9(11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyQOKSWNCTBSUIOE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid

2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64817389) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
PubChem CID64817389
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCC(N)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-3-7-10(14)12(16)15-11-8-5-4-6-9(11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyQOKSWNCTBSUIOE-UHFFFAOYSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
CID 107569955
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
CID 54928683
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
CID 64895983

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid (CID 64817389) is 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid is CCCCC(N)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QOKSWNCTBSUIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-7-10(14)12(16)15-11-8-5-4-6-9(11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid?
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).