(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

C19H20FN3O3 — CID 97492854

About (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (PubChem CID 97492854) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

Molecular Properties

• Compound Name: (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
• PubChem CID: 97492854
• Molecular Formula: C19H20FN3O3
• Molecular Weight: 357.38 g/mol
• Exact Mass: 357.15
• IUPAC Name: (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
• SMILES: O=C(NCc1ccco1)[C@H]1C[C@@]12CCN(C(=O)Nc1cccc(F)c1)C2
• InChI: InChI=1S/C19H20FN3O3/c20-13-3-1-4-14(9-13)22-18(25)23-7-6-19(12-23)10-16(19)17(24)21-11-15-5-2-8-26-15/h1-5,8-9,16H,6-7,10-12H2,(H,21,24)(H,22,25)/t16-,19-/m1/s1
• InChIKey: XFXSYFBSSNXYPD-VQIMIIECSA-N
• XLogP: 2.98
• TPSA: 74.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.38
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

The IUPAC name of (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (CID 97492854) is (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

What is the SMILES notation for (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

The canonical SMILES for (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is O=C(NCc1ccco1)[C@H]1C[C@@]12CCN(C(=O)Nc1cccc(F)c1)C2.

What is the InChIKey of (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

The InChIKey is XFXSYFBSSNXYPD-VQIMIIECSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-13-3-1-4-14(9-13)22-18(25)23-7-6-19(12-23)10-16(19)17(24)21-11-15-5-2-8-26-15/h1-5,8-9,16H,6-7,10-12H2,(H,21,24)(H,22,25)/t16-,19-/m1/s1.

What are the key properties of (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is sourced from PubChem (CID 97492854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).