4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid

C12H20N2O3 — CID 79209796

IUPAC4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCCCC(N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-2-3-4-10(13)11(15)14-9-6-5-8(7-9)12(16)17/h5-6,8-10H,2-4,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyVACJZVXBTQQFNN-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.65
Rot. Bonds6

About 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid

4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209796) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79209796
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCCCC(N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-2-3-4-10(13)11(15)14-9-6-5-8(7-9)12(16)17/h5-6,8-10H,2-4,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyVACJZVXBTQQFNN-UHFFFAOYSA-N
XLogP0.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 107570050
4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 104685292
4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209810
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216040
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide
CID 107146718

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79209796) is 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid is CCCCC(N)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is VACJZVXBTQQFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-4-10(13)11(15)14-9-6-5-8(7-9)12(16)17/h5-6,8-10H,2-4,7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).