2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C14H20N2O3 — CID 102895598

About 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102895598) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
• PubChem CID: 102895598
• Molecular Formula: C14H20N2O3
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.15
• IUPAC Name: 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
• SMILES: NC1C=CC(C(=O)N2CC3CCCC3C2C(=O)O)C1
• InChI: InChI=1S/C14H20N2O3/c15-10-5-4-8(6-10)13(17)16-7-9-2-1-3-11(9)12(16)14(18)19/h4-5,8-12H,1-3,6-7,15H2,(H,18,19)
• InChIKey: JZKHHJQCPZCPFB-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 83.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.32
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The IUPAC name of 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102895598) is 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

What is the SMILES notation for 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The canonical SMILES for 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is NC1C=CC(C(=O)N2CC3CCCC3C2C(=O)O)C1.

What is the InChIKey of 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The InChIKey is JZKHHJQCPZCPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-10-5-4-8(6-10)13(17)16-7-9-2-1-3-11(9)12(16)14(18)19/h4-5,8-12H,1-3,6-7,15H2,(H,18,19).

What are the key properties of 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminocyclopent-2-ene-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102895598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).