[(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid

C26H36F3N3O3 — CID 66590149

About [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid

[(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 66590149) has the molecular formula C26H36F3N3O3 and a molecular weight of 495.59 g/mol. Its IUPAC name is [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid
• PubChem CID: 66590149
• Molecular Formula: C26H36F3N3O3
• Molecular Weight: 495.59 g/mol
• Exact Mass: 495.27
• IUPAC Name: [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid
• SMILES: O=C(O)N[C@@H](CCCC1CCCC1)C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]21
• InChI: InChI=1S/C26H36F3N3O3/c27-26(28,29)20-11-8-18(9-12-20)14-32-15-19-10-13-22(21(19)16-32)30-24(33)23(31-25(34)35)7-3-6-17-4-1-2-5-17/h8-9,11-12,17,19,21-23,31H,1-7,10,13-16H2,(H,30,33)(H,34,35)/t19-,21+,22+,23+/m1/s1
• InChIKey: NPCOPZDYIPCWTA-SWUCNREESA-N
• XLogP: 5.03
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.59
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid?

The IUPAC name of [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid (CID 66590149) is [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid.

What is the SMILES notation for [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid?

The canonical SMILES for [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid is O=C(O)N[C@@H](CCCC1CCCC1)C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]21.

What is the InChIKey of [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid?

The InChIKey is NPCOPZDYIPCWTA-SWUCNREESA-N. The full InChI is InChI=1S/C26H36F3N3O3/c27-26(28,29)20-11-8-18(9-12-20)14-32-15-19-10-13-22(21(19)16-32)30-24(33)23(31-25(34)35)7-3-6-17-4-1-2-5-17/h8-9,11-12,17,19,21-23,31H,1-7,10,13-16H2,(H,30,33)(H,34,35)/t19-,21+,22+,23+/m1/s1.

What are the key properties of [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid?

[(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 495.59 g/mol, XLogP of 5.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-5-cyclopentyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 66590149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).