7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid

C14H26N2O3 — CID 63047132

IUPAC7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
SMILESNC1CCCC(C(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c15-12-7-5-6-11(10-12)14(19)16-9-4-2-1-3-8-13(17)18/h11-12H,1-10,15H2,(H,16,19)(H,17,18)
InChIKeyIUXDTMKYNKWGFE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.66
Rot. Bonds8

About 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid

7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid (PubChem CID 63047132) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
PubChem CID63047132
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
SMILESNC1CCCC(C(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c15-12-7-5-6-11(10-12)14(19)16-9-4-2-1-3-8-13(17)18/h11-12H,1-10,15H2,(H,16,19)(H,17,18)
InChIKeyIUXDTMKYNKWGFE-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

6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755

Frequently Asked Questions

What is the IUPAC name of 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid (CID 63047132) is 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid is NC1CCCC(C(=O)NCCCCCCC(=O)O)C1.
What is the InChIKey of 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid?
The InChIKey is IUXDTMKYNKWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-12-7-5-6-11(10-12)14(19)16-9-4-2-1-3-8-13(17)18/h11-12H,1-10,15H2,(H,16,19)(H,17,18).
What are the key properties of 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid?
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic 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 7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid is sourced from PubChem (CID 63047132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).