sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide

C109H117Cl8N12NaO18 — CID 158978723

About sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide

sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide (PubChem CID 158978723) has the molecular formula C109H117Cl8N12NaO18 and a molecular weight of 2189.81 g/mol. Its IUPAC name is sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide
• PubChem CID: 158978723
• Molecular Formula: C109H117Cl8N12NaO18
• Molecular Weight: 2189.81 g/mol
• Exact Mass: 2184.60
• IUPAC Name: sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide
• SMILES: CC(C)(C)OC(=O)NC1(C(=O)O)CCCC1.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)C1(N)CCCC1.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1.COC(=O)C(N)Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1.NC1(C(=O)NC(Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)O)CCCC1.[Na+].[OH-]
• InChI: InChI=1S/C30H33Cl2N3O5.C25H25Cl2N3O3.C24H23Cl2N3O3.C19H16Cl2N2O2.C11H19NO4.Na.H2O/c1-29(2,3)40-28(38)35-30(14-5-6-15-30)27(37)34-24(26(36)39-4)17-18-10-12-22-19(16-18)11-13-23(33-22)25-20(31)8-7-9-21(25)32;1-33-23(31)21(30-24(32)25(28)11-2-3-12-25)14-15-7-9-19-16(13-15)8-10-20(29-19)22-17(26)5-4-6-18(22)27;25-16-4-3-5-17(26)21(16)19-9-7-15-12-14(6-8-18(15)28-19)13-20(22(30)31)29-23(32)24(27)10-1-2-11-24;1-25-19(24)15(22)10-11-5-7-16-12(9-11)6-8-17(23-16)18-13(20)3-2-4-14(18)21;1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11;;/h7-13,16,24H,5-6,14-15,17H2,1-4H3,(H,34,37)(H,35,38);4-10,13,21H,2-3,11-12,14,28H2,1H3,(H,30,32);3-9,12,20H,1-2,10-11,13,27H2,(H,29,32)(H,30,31);2-9,15H,10,22H2,1H3;4-7H2,1-3H3,(H,12,15)(H,13,14);;1H2/q;;;;;+1;/p-1
• InChIKey: JOSJSBQSPMJNGA-UHFFFAOYSA-M
• XLogP: 18.51
• TPSA: 477.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2189.81
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide?

The IUPAC name of sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide (CID 158978723) is sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide?

The canonical SMILES for sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide is CC(C)(C)OC(=O)NC1(C(=O)O)CCCC1.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)C1(N)CCCC1.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1.COC(=O)C(N)Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1.NC1(C(=O)NC(Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)O)CCCC1.[Na+].[OH-].

What is the InChIKey of sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide?

The InChIKey is JOSJSBQSPMJNGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H33Cl2N3O5.C25H25Cl2N3O3.C24H23Cl2N3O3.C19H16Cl2N2O2.C11H19NO4.Na.H2O/c1-29(2,3)40-28(38)35-30(14-5-6-15-30)27(37)34-24(26(36)39-4)17-18-10-12-22-19(16-18)11-13-23(33-22)25-20(31)8-7-9-21(25)32;1-33-23(31)21(30-24(32)25(28)11-2-3-12-25)14-15-7-9-19-16(13-15)8-10-20(29-19)22-17(26)5-4-6-18(22)27;25-16-4-3-5-17(26)21(16)19-9-7-15-12-14(6-8-18(15)28-19)13-20(22(30)31)29-23(32)24(27)10-1-2-11-24;1-25-19(24)15(22)10-11-5-7-16-12(9-11)6-8-17(23-16)18-13(20)3-2-4-14(18)21;1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11;;/h7-13,16,24H,5-6,14-15,17H2,1-4H3,(H,34,37)(H,35,38);4-10,13,21H,2-3,11-12,14,28H2,1H3,(H,30,32);3-9,12,20H,1-2,10-11,13,27H2,(H,29,32)(H,30,31);2-9,15H,10,22H2,1H3;4-7H2,1-3H3,(H,12,15)(H,13,14);;1H2/q;;;;;+1;/p-1.

What are the key properties of sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide?

sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide has a molecular weight of 2189.81 g/mol, XLogP of 18.51, 25 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(1-aminocyclopentanecarbonyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;hydroxide is sourced from PubChem (CID 158978723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).