formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

C30H43N3O5 — CID 127024803

About formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide (PubChem CID 127024803) has the molecular formula C30H43N3O5 and a molecular weight of 525.69 g/mol. Its IUPAC name is formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide.

Molecular Properties

• Compound Name: formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
• PubChem CID: 127024803
• Molecular Formula: C30H43N3O5
• Molecular Weight: 525.69 g/mol
• Exact Mass: 525.32
• IUPAC Name: formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
• SMILES: CC(C)Oc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1.O=CO
• InChI: InChI=1S/C29H41N3O3.CH2O2/c1-20(2)35-22-9-7-21(8-10-22)19-31-28(34)26-24-12-11-23(29(24)13-14-29)25(26)27(33)30-15-3-4-16-32-17-5-6-18-32;2-1-3/h7-12,20,23-26H,3-6,13-19H2,1-2H3,(H,30,33)(H,31,34);1H,(H,2,3)/t23-,24+,25-,26-;/m1./s1
• InChIKey: UDUSCRZMZVWBAG-QJRGHEQESA-N
• XLogP: 3.61
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.69
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide?

The IUPAC name of formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide (CID 127024803) is formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide.

What is the SMILES notation for formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide?

The canonical SMILES for formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide is CC(C)Oc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1.O=CO.

What is the InChIKey of formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide?

The InChIKey is UDUSCRZMZVWBAG-QJRGHEQESA-N. The full InChI is InChI=1S/C29H41N3O3.CH2O2/c1-20(2)35-22-9-7-21(8-10-22)19-31-28(34)26-24-12-11-23(29(24)13-14-29)25(26)27(33)30-15-3-4-16-32-17-5-6-18-32;2-1-3/h7-12,20,23-26H,3-6,13-19H2,1-2H3,(H,30,33)(H,31,34);1H,(H,2,3)/t23-,24+,25-,26-;/m1./s1.

What are the key properties of formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide?

formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide has a molecular weight of 525.69 g/mol, XLogP of 3.61, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;(1R,2R,3R,4S)-3-N-[(4-propan-2-yloxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide is sourced from PubChem (CID 127024803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).