7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid

C13H21NO3 — CID 64766728

IUPAC7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CC=CC1
InChIInChI=1S/C13H21NO3/c15-12(16)9-3-1-2-6-10-14-13(17)11-7-4-5-8-11/h4-5,11H,1-3,6-10H2,(H,14,17)(H,15,16)
InChIKeyZVLYXYJNECRJNP-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.10
Rot. Bonds8

About 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid

7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid (PubChem CID 64766728) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
PubChem CID64766728
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CC=CC1
InChIInChI=1S/C13H21NO3/c15-12(16)9-3-1-2-6-10-14-13(17)11-7-4-5-8-11/h4-5,11H,1-3,6-10H2,(H,14,17)(H,15,16)
InChIKeyZVLYXYJNECRJNP-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopent-3-ene-1-carbonylamino)pentanoic acid
CID 64766388
3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
CID 64767078
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
6-(3-carboxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 54868731
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid?
The IUPAC name of 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid (CID 64766728) is 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid.
What is the SMILES notation for 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid?
The canonical SMILES for 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)C1CC=CC1.
What is the InChIKey of 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid?
The InChIKey is ZVLYXYJNECRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(16)9-3-1-2-6-10-14-13(17)11-7-4-5-8-11/h4-5,11H,1-3,6-10H2,(H,14,17)(H,15,16).
What are the key properties of 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid?
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid is sourced from PubChem (CID 64766728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).