methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C83H77F12N13O14 — CID 160826716

About methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 160826716) has the molecular formula C83H77F12N13O14 and a molecular weight of 1708.58 g/mol. Its IUPAC name is methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 160826716
• Molecular Formula: C83H77F12N13O14
• Molecular Weight: 1708.58 g/mol
• Exact Mass: 1707.55
• IUPAC Name: methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: C.COC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2c1CCC2.COC(=O)c1c(C)cc2n1CCC2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC2)c2n(c1C(=O)Nc1cc(F)c(F)c(F)c1)CCC2.Cc1c(C(=O)C(=O)O)c2n(c1C(=O)Nc1cc(F)c(F)c(F)c1)CCC2.Cc1cc2n(c1C(=O)Nc1cc(F)c(F)c(F)c1)CCC2
• InChI: InChI=1S/C22H19F3N6O3.C18H15F3N2O4.C17H13F3N2O4.C15H13F3N2O.C10H13NO2.CH4/c1-10-16(19(32)21(34)28-22(4-5-22)15-9-26-30-29-15)14-3-2-6-31(14)18(10)20(33)27-11-7-12(23)17(25)13(24)8-11;1-8-13(16(24)18(26)27-2)12-4-3-5-23(12)15(8)17(25)22-9-6-10(19)14(21)11(20)7-9;1-7-12(15(23)17(25)26)11-3-2-4-22(11)14(7)16(24)21-8-5-9(18)13(20)10(19)6-8;1-8-5-10-3-2-4-20(10)14(8)15(21)19-9-6-11(16)13(18)12(17)7-9;1-7-6-8-4-3-5-11(8)9(7)10(12)13-2;/h7-9H,2-6H2,1H3,(H,27,33)(H,28,34)(H,26,29,30);6-7H,3-5H2,1-2H3,(H,22,25);5-6H,2-4H2,1H3,(H,21,24)(H,25,26);5-7H,2-4H2,1H3,(H,19,21);6H,3-5H2,1-2H3;1H4
• InChIKey: SGGRSVGGIWCINH-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 352.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1708.58
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 160826716) is methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is C.COC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2c1CCC2.COC(=O)c1c(C)cc2n1CCC2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC2)c2n(c1C(=O)Nc1cc(F)c(F)c(F)c1)CCC2.Cc1c(C(=O)C(=O)O)c2n(c1C(=O)Nc1cc(F)c(F)c(F)c1)CCC2.Cc1cc2n(c1C(=O)Nc1cc(F)c(F)c(F)c1)CCC2.

What is the InChIKey of methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is SGGRSVGGIWCINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3.C18H15F3N2O4.C17H13F3N2O4.C15H13F3N2O.C10H13NO2.CH4/c1-10-16(19(32)21(34)28-22(4-5-22)15-9-26-30-29-15)14-3-2-6-31(14)18(10)20(33)27-11-7-12(23)17(25)13(24)8-11;1-8-13(16(24)18(26)27-2)12-4-3-5-23(12)15(8)17(25)22-9-6-10(19)14(21)11(20)7-9;1-7-12(15(23)17(25)26)11-3-2-4-22(11)14(7)16(24)21-8-5-9(18)13(20)10(19)6-8;1-8-5-10-3-2-4-20(10)14(8)15(21)19-9-6-11(16)13(18)12(17)7-9;1-7-6-8-4-3-5-11(8)9(7)10(12)13-2;/h7-9H,2-6H2,1H3,(H,27,33)(H,28,34)(H,26,29,30);6-7H,3-5H2,1-2H3,(H,22,25);5-6H,2-4H2,1H3,(H,21,24)(H,25,26);5-7H,2-4H2,1H3,(H,19,21);6H,3-5H2,1-2H3;1H4.

What are the key properties of methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 1708.58 g/mol, XLogP of 13.54, 17 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate;methyl 2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetate;2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide;2-[2-methyl-3-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-1-yl]-2-oxoacetic acid;2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 160826716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).