6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid

C19H32N2O4 — CID 119220217

IUPAC6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H32N2O4/c22-17(23)8-2-1-5-13-20-18(24)15-9-11-16(12-10-15)21-19(25)14-6-3-4-7-14/h14-16H,1-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVKMAEFQRIIBMRU-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.61
Rot. Bonds9

About 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid

6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid (PubChem CID 119220217) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
PubChem CID119220217
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H32N2O4/c22-17(23)8-2-1-5-13-20-18(24)15-9-11-16(12-10-15)21-19(25)14-6-3-4-7-14/h14-16H,1-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVKMAEFQRIIBMRU-UHFFFAOYSA-N
XLogP2.61
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.61
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

7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid
CID 119242524
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide
CID 119508167
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
4-[3-(cyclobutanecarbonylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024453

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid (CID 119220217) is 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid?
The InChIKey is VKMAEFQRIIBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c22-17(23)8-2-1-5-13-20-18(24)15-9-11-16(12-10-15)21-19(25)14-6-3-4-7-14/h14-16H,1-13H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid?
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid has a molecular weight of 352.48 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 119220217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).