(6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide

C21H30F3N3O5 — CID 166170510

About (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide

(6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 166170510) has the molecular formula C21H30F3N3O5 and a molecular weight of 464.50 g/mol. Its IUPAC name is (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide
• PubChem CID: 166170510
• Molecular Formula: C21H30F3N3O5
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.23
• IUPAC Name: (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide
• SMILES: [2H]C([2H])([2H])CCCC(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F
• InChI: InChI=1S/C21H30F3N3O5/c1-2-3-4-17(29)27-12-20(6-7-20)10-15(27)19(31)26-14(9-13-5-8-25-18(13)30)16(28)11-32-21(22,23)24/h13-15H,2-12H2,1H3,(H,25,30)(H,26,31)/t13-,14-,15-/m0/s1/i1D3
• InChIKey: DTNXDIONXIIUGN-WOOHOFIISA-N
• XLogP: 1.67
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.50
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide?

The IUPAC name of (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide (CID 166170510) is (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide.

What is the SMILES notation for (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide?

The canonical SMILES for (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide is [2H]C([2H])([2H])CCCC(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F.

What is the InChIKey of (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide?

The InChIKey is DTNXDIONXIIUGN-WOOHOFIISA-N. The full InChI is InChI=1S/C21H30F3N3O5/c1-2-3-4-17(29)27-12-20(6-7-20)10-15(27)19(31)26-14(9-13-5-8-25-18(13)30)16(28)11-32-21(22,23)24/h13-15H,2-12H2,1H3,(H,25,30)(H,26,31)/t13-,14-,15-/m0/s1/i1D3.

What are the key properties of (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide?

(6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 1.67, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-(5,5,5-trideuteriopentanoyl)-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 166170510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).