2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H26N2O3 — CID 102895244

About 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102895244) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
• PubChem CID: 102895244
• Molecular Formula: C15H26N2O3
• Molecular Weight: 282.38 g/mol
• Exact Mass: 282.19
• IUPAC Name: 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
• SMILES: CCC(CC)NC(=O)CN1CC2CCCC2C1C(=O)O
• InChI: InChI=1S/C15H26N2O3/c1-3-11(4-2)16-13(18)9-17-8-10-6-5-7-12(10)14(17)15(19)20/h10-12,14H,3-9H2,1-2H3,(H,16,18)(H,19,20)
• InChIKey: CVNDWPCGKVJIMD-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.38
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The IUPAC name of 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102895244) is 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

What is the SMILES notation for 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The canonical SMILES for 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CCC(CC)NC(=O)CN1CC2CCCC2C1C(=O)O.

What is the InChIKey of 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The InChIKey is CVNDWPCGKVJIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-11(4-2)16-13(18)9-17-8-10-6-5-7-12(10)14(17)15(19)20/h10-12,14H,3-9H2,1-2H3,(H,16,18)(H,19,20).

What are the key properties of 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-oxo-2-(pentan-3-ylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102895244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).