(2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide

C19H25F6N5O4 — CID 171791017

About (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide

(2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide (PubChem CID 171791017) has the molecular formula C19H25F6N5O4 and a molecular weight of 501.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide
• PubChem CID: 171791017
• Molecular Formula: C19H25F6N5O4
• Molecular Weight: 501.43 g/mol
• Exact Mass: 501.18
• IUPAC Name: (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide
• SMILES: COC[C@H](c1ccnc(NC(=O)[C@@H](N)COC(C)(C)C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)NC1=O
• InChI: InChI=1S/C19H25F6N5O4/c1-17(2,19(23,24)25)34-8-11(26)15(31)29-14-6-10(4-5-27-14)12(9-33-3)30-7-13(18(20,21)22)28-16(30)32/h4-6,11-13H,7-9,26H2,1-3H3,(H,28,32)(H,27,29,31)/t11-,12+,13-/m0/s1
• InChIKey: KYZFSVMLUMROPY-XQQFMLRXSA-N
• XLogP: 2.35
• TPSA: 118.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.43
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide?

The IUPAC name of (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide (CID 171791017) is (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide.

What is the SMILES notation for (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide?

The canonical SMILES for (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide is COC[C@H](c1ccnc(NC(=O)[C@@H](N)COC(C)(C)C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)NC1=O.

What is the InChIKey of (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide?

The InChIKey is KYZFSVMLUMROPY-XQQFMLRXSA-N. The full InChI is InChI=1S/C19H25F6N5O4/c1-17(2,19(23,24)25)34-8-11(26)15(31)29-14-6-10(4-5-27-14)12(9-33-3)30-7-13(18(20,21)22)28-16(30)32/h4-6,11-13H,7-9,26H2,1-3H3,(H,28,32)(H,27,29,31)/t11-,12+,13-/m0/s1.

What are the key properties of (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide?

(2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide has a molecular weight of 501.43 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide is sourced from PubChem (CID 171791017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).