1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide

C142H189F4N33O17 — CID 167557581

About 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide

1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 167557581) has the molecular formula C142H189F4N33O17 and a molecular weight of 2706.28 g/mol. Its IUPAC name is 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide
• PubChem CID: 167557581
• Molecular Formula: C142H189F4N33O17
• Molecular Weight: 2706.28 g/mol
• Exact Mass: 2704.49
• IUPAC Name: 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide
• SMILES: CC1CCN(C(=O)CCC(N)C(=O)N2CCCC2C(=O)NCc2ccc(CN)cc2)C1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCC(F)C3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Oc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.NCc1ccc(CNC(=O)C2CCCN2C(=O)C(N)CCC(=O)N2CC=CC2)cc1.NCc1ccc(CNC(=O)C2CCCN2C(=O)C(N)CCC(=O)N2CCC3CC32)cc1.NCc1ccc(CNC(=O)C2CCCN2C(=O)C(N)CCc2cccnc2)cc1
• InChI: InChI=1S/C29H32N6O3.C23H29F4N7O3.C23H33N5O3.C23H35N5O3.C22H31N5O3.C22H29N5O2/c1-34-26-15-13-21(16-25(26)32-33-34)18-31-28(36)27-17-23(38-22-10-6-3-7-11-22)19-35(27)29(37)24(30)14-12-20-8-4-2-5-9-20;1-32-18-4-2-13(8-17(18)30-31-32)10-29-21(36)19-9-14(23(25,26)27)11-34(19)22(37)16(28)3-5-20(35)33-7-6-15(24)12-33;24-13-15-3-5-16(6-4-15)14-26-22(30)19-2-1-10-28(19)23(31)18(25)7-8-21(29)27-11-9-17-12-20(17)27;1-16-10-12-27(15-16)21(29)9-8-19(25)23(31)28-11-2-3-20(28)22(30)26-14-18-6-4-17(13-24)5-7-18;23-14-16-5-7-17(8-6-16)15-25-21(29)19-4-3-13-27(19)22(30)18(24)9-10-20(28)26-11-1-2-12-26;23-13-16-5-7-18(8-6-16)15-26-21(28)20-4-2-12-27(20)22(29)19(24)10-9-17-3-1-11-25-14-17/h2-11,13,15-16,23-24,27H,12,14,17-19,30H2,1H3,(H,31,36);2,4,8,14-16,19H,3,5-7,9-12,28H2,1H3,(H,29,36);3-6,17-20H,1-2,7-14,24-25H2,(H,26,30);4-7,16,19-20H,2-3,8-15,24-25H2,1H3,(H,26,30);1-2,5-8,18-19H,3-4,9-15,23-24H2,(H,25,29);1,3,5-8,11,14,19-20H,2,4,9-10,12-13,15,23-24H2,(H,26,28)
• InChIKey: DFEAUAOJHQFORK-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 721.44 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 34
• Rotatable Bonds: 48
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2706.28
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide (CID 167557581) is 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide is CC1CCN(C(=O)CCC(N)C(=O)N2CCCC2C(=O)NCc2ccc(CN)cc2)C1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCC(F)C3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Oc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.NCc1ccc(CNC(=O)C2CCCN2C(=O)C(N)CCC(=O)N2CC=CC2)cc1.NCc1ccc(CNC(=O)C2CCCN2C(=O)C(N)CCC(=O)N2CCC3CC32)cc1.NCc1ccc(CNC(=O)C2CCCN2C(=O)C(N)CCc2cccnc2)cc1.

What is the InChIKey of 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide?

The InChIKey is DFEAUAOJHQFORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3.C23H29F4N7O3.C23H33N5O3.C23H35N5O3.C22H31N5O3.C22H29N5O2/c1-34-26-15-13-21(16-25(26)32-33-34)18-31-28(36)27-17-23(38-22-10-6-3-7-11-22)19-35(27)29(37)24(30)14-12-20-8-4-2-5-9-20;1-32-18-4-2-13(8-17(18)30-31-32)10-29-21(36)19-9-14(23(25,26)27)11-34(19)22(37)16(28)3-5-20(35)33-7-6-15(24)12-33;24-13-15-3-5-16(6-4-15)14-26-22(30)19-2-1-10-28(19)23(31)18(25)7-8-21(29)27-11-9-17-12-20(17)27;1-16-10-12-27(15-16)21(29)9-8-19(25)23(31)28-11-2-3-20(28)22(30)26-14-18-6-4-17(13-24)5-7-18;23-14-16-5-7-17(8-6-16)15-25-21(29)19-4-3-13-27(19)22(30)18(24)9-10-20(28)26-11-1-2-12-26;23-13-16-5-7-18(8-6-16)15-26-21(28)20-4-2-12-27(20)22(29)19(24)10-9-17-3-1-11-25-14-17/h2-11,13,15-16,23-24,27H,12,14,17-19,30H2,1H3,(H,31,36);2,4,8,14-16,19H,3,5-7,9-12,28H2,1H3,(H,29,36);3-6,17-20H,1-2,7-14,24-25H2,(H,26,30);4-7,16,19-20H,2-3,8-15,24-25H2,1H3,(H,26,30);1-2,5-8,18-19H,3-4,9-15,23-24H2,(H,25,29);1,3,5-8,11,14,19-20H,2,4,9-10,12-13,15,23-24H2,(H,26,28).

What are the key properties of 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide?

1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 2706.28 g/mol, XLogP of 6.21, 48 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 167557581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).