(3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid

C17H27N5O7 — CID 154923086

About (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid

(3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid (PubChem CID 154923086) has the molecular formula C17H27N5O7 and a molecular weight of 413.43 g/mol. Its IUPAC name is (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid.

Molecular Properties

• Compound Name: (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid
• PubChem CID: 154923086
• Molecular Formula: C17H27N5O7
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.19
• IUPAC Name: (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid
• SMILES: CCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)NCCOc2nonc2C)C1.O=CO
• InChI: InChI=1S/C16H25N5O5.CH2O2/c1-3-17-13(22)7-21-6-12-8-24-10-16(12,9-21)15(23)18-4-5-25-14-11(2)19-26-20-14;2-1-3/h12H,3-10H2,1-2H3,(H,17,22)(H,18,23);1H,(H,2,3)/t12-,16-;/m1./s1
• InChIKey: XTYDOBZNXPXBIZ-VQZRABBESA-N
• XLogP: -1.34
• TPSA: 156.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	-1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid?

The IUPAC name of (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid (CID 154923086) is (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid.

What is the SMILES notation for (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid?

The canonical SMILES for (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid is CCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)NCCOc2nonc2C)C1.O=CO.

What is the InChIKey of (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid?

The InChIKey is XTYDOBZNXPXBIZ-VQZRABBESA-N. The full InChI is InChI=1S/C16H25N5O5.CH2O2/c1-3-17-13(22)7-21-6-12-8-24-10-16(12,9-21)15(23)18-4-5-25-14-11(2)19-26-20-14;2-1-3/h12H,3-10H2,1-2H3,(H,17,22)(H,18,23);1H,(H,2,3)/t12-,16-;/m1./s1.

What are the key properties of (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid?

(3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid has a molecular weight of 413.43 g/mol, XLogP of -1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid is sourced from PubChem (CID 154923086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).