4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 61160664

IUPAC4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
SMILESNCCCCCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c15-10-4-2-1-3-5-13(17)16-12-8-6-11(7-9-12)14(18)19/h11-12H,1-10,15H2,(H,16,17)(H,18,19)
InChIKeyGKATYIHHSLJRDX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.66
Rot. Bonds8

About 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid

4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61160664) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
PubChem CID61160664
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
SMILESNCCCCCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c15-10-4-2-1-3-5-13(17)16-12-8-6-11(7-9-12)14(18)19/h11-12H,1-10,15H2,(H,16,17)(H,18,19)
InChIKeyGKATYIHHSLJRDX-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
N,N'-dicyclopropyldecanediamide
CID 4668836
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 58615977

Frequently Asked Questions

What is the IUPAC name of 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid (CID 61160664) is 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid is NCCCCCCC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GKATYIHHSLJRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-10-4-2-1-3-5-13(17)16-12-8-6-11(7-9-12)14(18)19/h11-12H,1-10,15H2,(H,16,17)(H,18,19).
What are the key properties of 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid?
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61160664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).