(2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide

C20H30F3N3O6 — CID 166170540

About (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide

(2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide (PubChem CID 166170540) has the molecular formula C20H30F3N3O6 and a molecular weight of 465.47 g/mol. Its IUPAC name is (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide
• PubChem CID: 166170540
• Molecular Formula: C20H30F3N3O6
• Molecular Weight: 465.47 g/mol
• Exact Mass: 465.21
• IUPAC Name: (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F
• InChI: InChI=1S/C20H30F3N3O6/c1-11(2)8-14(26-19(30)16-4-3-7-31-16)18(29)25-13(9-12-5-6-24-17(12)28)15(27)10-32-20(21,22)23/h11-14,16H,3-10H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/t12-,13-,14-,16+/m0/s1
• InChIKey: WMHUWUAKBAJPTM-RZLSGREXSA-N
• XLogP: 0.81
• TPSA: 122.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.47
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide?

The IUPAC name of (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide (CID 166170540) is (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide.

What is the SMILES notation for (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide?

The canonical SMILES for (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide is CC(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F.

What is the InChIKey of (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide?

The InChIKey is WMHUWUAKBAJPTM-RZLSGREXSA-N. The full InChI is InChI=1S/C20H30F3N3O6/c1-11(2)8-14(26-19(30)16-4-3-7-31-16)18(29)25-13(9-12-5-6-24-17(12)28)15(27)10-32-20(21,22)23/h11-14,16H,3-10H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/t12-,13-,14-,16+/m0/s1.

What are the key properties of (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide?

(2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide has a molecular weight of 465.47 g/mol, XLogP of 0.81, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 166170540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).