(3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane

C145H196F4N30O25 — CID 158247629

About (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane

(3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane (PubChem CID 158247629) has the molecular formula C145H196F4N30O25 and a molecular weight of 2835.34 g/mol. Its IUPAC name is (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane.

Molecular Properties

• Compound Name: (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane
• PubChem CID: 158247629
• Molecular Formula: C145H196F4N30O25
• Molecular Weight: 2835.34 g/mol
• Exact Mass: 2833.49
• IUPAC Name: (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane
• SMILES: C.C.C.C.C.C.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(Cc3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(c3c(F)c(F)nc(F)c3F)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OC[C@@H](CC(=O)O)NC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(O)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1
• InChI: InChI=1S/C25H31N5O6.2C24H31N5O4.C23H25F4N5O4.C23H29N5O4.C20H25N5O3.6CH4/c26-24(27)18-2-1-16(3-4-22(31)32)21(13-18)36-15-19(14-23(33)34)29-25(35)17-7-11-30(12-8-17)20-5-9-28-10-6-20;25-23(26)19-3-2-17(4-5-22(30)31)21(16-19)33-15-1-10-28-24(32)18-8-13-29(14-9-18)20-6-11-27-12-7-20;25-23(26)20-2-1-18(3-4-22(30)31)21(15-20)33-14-11-28-24(32)19-7-12-29(13-8-19)16-17-5-9-27-10-6-17;24-17-19(18(25)21(27)31-20(17)26)32-8-5-13(6-9-32)23(35)30-7-10-36-15-11-14(22(28)29)2-1-12(15)3-4-16(33)34;1-15(24)28-11-8-19(9-12-28)32-18-5-2-16(3-6-18)23(30)27-10-13-31-21-14-17(22(25)26)4-7-20(21)29;21-19(22)15-1-2-17(26)18(13-15)28-12-9-24-20(27)14-5-10-25(11-6-14)16-3-7-23-8-4-16;;;;;;/h1-2,5-6,9-10,13,17,19H,3-4,7-8,11-12,14-15H2,(H3,26,27)(H,29,35)(H,31,32)(H,33,34);2-3,6-7,11-12,16,18H,1,4-5,8-10,13-15H2,(H3,25,26)(H,28,32)(H,30,31);1-2,5-6,9-10,15,19H,3-4,7-8,11-14,16H2,(H3,25,26)(H,28,32)(H,30,31);1-2,11,13H,3-10H2,(H3,28,29)(H,30,35)(H,33,34);2-7,14,19,24,29H,8-13H2,1H3,(H3,25,26)(H,27,30);1-4,7-8,13-14,26H,5-6,9-12H2,(H3,21,22)(H,24,27);6*1H4/b;;;;24-15+;;;;;;;/t19-;;;;;;;;;;;/m1.........../s1
• InChIKey: GGHZEDACTGCWHG-OKASHDAKSA-N
• XLogP: 15.59
• TPSA: 873.13 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 37
• Rotatable Bonds: 59
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2835.34
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane?

The IUPAC name of (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane (CID 158247629) is (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane.

What is the SMILES notation for (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane?

The canonical SMILES for (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane is C.C.C.C.C.C.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(Cc3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(c3c(F)c(F)nc(F)c3F)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OC[C@@H](CC(=O)O)NC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(O)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.

What is the InChIKey of (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane?

The InChIKey is GGHZEDACTGCWHG-OKASHDAKSA-N. The full InChI is InChI=1S/C25H31N5O6.2C24H31N5O4.C23H25F4N5O4.C23H29N5O4.C20H25N5O3.6CH4/c26-24(27)18-2-1-16(3-4-22(31)32)21(13-18)36-15-19(14-23(33)34)29-25(35)17-7-11-30(12-8-17)20-5-9-28-10-6-20;25-23(26)19-3-2-17(4-5-22(30)31)21(16-19)33-15-1-10-28-24(32)18-8-13-29(14-9-18)20-6-11-27-12-7-20;25-23(26)20-2-1-18(3-4-22(30)31)21(15-20)33-14-11-28-24(32)19-7-12-29(13-8-19)16-17-5-9-27-10-6-17;24-17-19(18(25)21(27)31-20(17)26)32-8-5-13(6-9-32)23(35)30-7-10-36-15-11-14(22(28)29)2-1-12(15)3-4-16(33)34;1-15(24)28-11-8-19(9-12-28)32-18-5-2-16(3-6-18)23(30)27-10-13-31-21-14-17(22(25)26)4-7-20(21)29;21-19(22)15-1-2-17(26)18(13-15)28-12-9-24-20(27)14-5-10-25(11-6-14)16-3-7-23-8-4-16;;;;;;/h1-2,5-6,9-10,13,17,19H,3-4,7-8,11-12,14-15H2,(H3,26,27)(H,29,35)(H,31,32)(H,33,34);2-3,6-7,11-12,16,18H,1,4-5,8-10,13-15H2,(H3,25,26)(H,28,32)(H,30,31);1-2,5-6,9-10,15,19H,3-4,7-8,11-14,16H2,(H3,25,26)(H,28,32)(H,30,31);1-2,11,13H,3-10H2,(H3,28,29)(H,30,35)(H,33,34);2-7,14,19,24,29H,8-13H2,1H3,(H3,25,26)(H,27,30);1-4,7-8,13-14,26H,5-6,9-12H2,(H3,21,22)(H,24,27);6*1H4/b;;;;24-15+;;;;;;;/t19-;;;;;;;;;;;/m1.........../s1.

What are the key properties of (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane?

(3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane has a molecular weight of 2835.34 g/mol, XLogP of 15.59, 59 rotatable bonds, 26 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-(5-carbamimidoyl-2-hydroxyphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid;3-[4-carbamimidoyl-2-[2-[[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid;methane is sourced from PubChem (CID 158247629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).