3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C16H28N2O2 — CID 115561603

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 115561603) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
• PubChem CID: 115561603
• Molecular Formula: C16H28N2O2
• Molecular Weight: 280.41 g/mol
• Exact Mass: 280.22
• IUPAC Name: 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
• SMILES: CC(C)NC1(C(=O)O)CCC(N2CC3CCCC3C2)C1
• InChI: InChI=1S/C16H28N2O2/c1-11(2)17-16(15(19)20)7-6-14(8-16)18-9-12-4-3-5-13(12)10-18/h11-14,17H,3-10H2,1-2H3,(H,19,20)
• InChIKey: JYNNZUNWRPGKDC-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.41
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?

The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 115561603) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?

The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCC(N2CC3CCCC3C2)C1.

What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?

The InChIKey is JYNNZUNWRPGKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)17-16(15(19)20)7-6-14(8-16)18-9-12-4-3-5-13(12)10-18/h11-14,17H,3-10H2,1-2H3,(H,19,20).

What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115561603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).