4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 82852110

IUPAC4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(14)3-2-4-12(16)15-11-7-5-10(6-8-11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyMDEMHNSNQVXWEG-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds6

About 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid

4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 82852110) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
PubChem CID82852110
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(14)3-2-4-12(16)15-11-7-5-10(6-8-11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyMDEMHNSNQVXWEG-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

5-amino-N-cyclopropylhexanamide
CID 82848782
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
5-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide
CID 82848963
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
CID 82851867
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid (CID 82852110) is 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid is CC(N)CCCC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MDEMHNSNQVXWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(14)3-2-4-12(16)15-11-7-5-10(6-8-11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid?
4-(5-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 4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82852110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).