N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

C25H34F3N5O6 — CID 53361778

About N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 53361778) has the molecular formula C25H34F3N5O6 and a molecular weight of 557.57 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 53361778
• Molecular Formula: C25H34F3N5O6
• Molecular Weight: 557.57 g/mol
• Exact Mass: 557.25
• IUPAC Name: N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)N1CCOCC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H33N5O4.C2HF3O2/c29-21(25-18-6-1-2-7-18)20-8-4-10-28(20)22(30)19(15-17-5-3-9-24-16-17)26-23(31)27-11-13-32-14-12-27;3-2(4,5)1(6)7/h3,5,9,16,18-20H,1-2,4,6-8,10-15H2,(H,25,29)(H,26,31);(H,6,7)/t19-,20-;/m0./s1
• InChIKey: NIUZJUIEPWDHFN-FKLPMGAJSA-N
• XLogP: 1.72
• TPSA: 141.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.57
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 53361778) is N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)N1CCOCC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is NIUZJUIEPWDHFN-FKLPMGAJSA-N. The full InChI is InChI=1S/C23H33N5O4.C2HF3O2/c29-21(25-18-6-1-2-7-18)20-8-4-10-28(20)22(30)19(15-17-5-3-9-24-16-17)26-23(31)27-11-13-32-14-12-27;3-2(4,5)1(6)7/h3,5,9,16,18-20H,1-2,4,6-8,10-15H2,(H,25,29)(H,26,31);(H,6,7)/t19-,20-;/m0./s1.

What are the key properties of N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?

N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 557.57 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53361778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).