2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane

C135H102N10O43 — CID 159214191

About 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane

2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane (PubChem CID 159214191) has the molecular formula C135H102N10O43 and a molecular weight of 2552.33 g/mol. Its IUPAC name is 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane.

Molecular Properties

• Compound Name: 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane
• PubChem CID: 159214191
• Molecular Formula: C135H102N10O43
• Molecular Weight: 2552.33 g/mol
• Exact Mass: 2550.61
• IUPAC Name: 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane
• SMILES: C.C.C.CC1(C)CC(N2C(=O)c3ccc(C(=O)O)cc3C2=O)CC(C)(CN2C(=O)c3ccc(C(=O)O)cc3C2=O)C1.O=C(O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1.O=C(O)c1ccc2c(c1)C(=O)N(CCN1C(=O)c3ccc(C(=O)O)cc3C1=O)C2=O.O=C(O)c1ccc2c(c1)C(=O)N(CCO)C2=O.O=C(O)c1ccc2c(c1)C(=O)N(Cc1cccc(CN3C(=O)c4ccc(C(=O)O)cc4C3=O)c1)C2=O.O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O
• InChI: InChI=1S/C31H18N2O8.C28H26N2O8.C26H16N2O8.C20H12N2O8.C16H9NO6.C11H9NO5.3CH4/c34-26-22-11-5-18(30(38)39)14-24(22)28(36)32(26)20-7-1-16(2-8-20)13-17-3-9-21(10-4-17)33-27(35)23-12-6-19(31(40)41)15-25(23)29(33)37;1-27(2)10-16(30-23(33)18-7-5-15(26(37)38)9-20(18)24(30)34)11-28(3,12-27)13-29-21(31)17-6-4-14(25(35)36)8-19(17)22(29)32;29-21-17-6-4-15(25(33)34)9-19(17)23(31)27(21)11-13-2-1-3-14(8-13)12-28-22(30)18-7-5-16(26(35)36)10-20(18)24(28)32;23-15-11-3-1-9(19(27)28)7-13(11)17(25)21(15)5-6-22-16(24)12-4-2-10(20(29)30)8-14(12)18(22)26;18-13-11-6-3-9(16(22)23)7-12(11)14(19)17(13)10-4-1-8(2-5-10)15(20)21;13-4-3-12-9(14)7-2-1-6(11(16)17)5-8(7)10(12)15;;;/h1-12,14-15H,13H2,(H,38,39)(H,40,41);4-9,16H,10-13H2,1-3H3,(H,35,36)(H,37,38);1-10H,11-12H2,(H,33,34)(H,35,36);1-4,7-8H,5-6H2,(H,27,28)(H,29,30);1-7H,(H,20,21)(H,22,23);1-2,5,13H,3-4H2,(H,16,17);3*1H4
• InChIKey: KQWBAVIQKDTRGN-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 804.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.33
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane?

The IUPAC name of 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane (CID 159214191) is 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane.

What is the SMILES notation for 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane?

The canonical SMILES for 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane is C.C.C.CC1(C)CC(N2C(=O)c3ccc(C(=O)O)cc3C2=O)CC(C)(CN2C(=O)c3ccc(C(=O)O)cc3C2=O)C1.O=C(O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1.O=C(O)c1ccc2c(c1)C(=O)N(CCN1C(=O)c3ccc(C(=O)O)cc3C1=O)C2=O.O=C(O)c1ccc2c(c1)C(=O)N(CCO)C2=O.O=C(O)c1ccc2c(c1)C(=O)N(Cc1cccc(CN3C(=O)c4ccc(C(=O)O)cc4C3=O)c1)C2=O.O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O.

What is the InChIKey of 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane?

The InChIKey is KQWBAVIQKDTRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2O8.C28H26N2O8.C26H16N2O8.C20H12N2O8.C16H9NO6.C11H9NO5.3CH4/c34-26-22-11-5-18(30(38)39)14-24(22)28(36)32(26)20-7-1-16(2-8-20)13-17-3-9-21(10-4-17)33-27(35)23-12-6-19(31(40)41)15-25(23)29(33)37;1-27(2)10-16(30-23(33)18-7-5-15(26(37)38)9-20(18)24(30)34)11-28(3,12-27)13-29-21(31)17-6-4-14(25(35)36)8-19(17)22(29)32;29-21-17-6-4-15(25(33)34)9-19(17)23(31)27(21)11-13-2-1-3-14(8-13)12-28-22(30)18-7-5-16(26(35)36)10-20(18)24(28)32;23-15-11-3-1-9(19(27)28)7-13(11)17(25)21(15)5-6-22-16(24)12-4-2-10(20(29)30)8-14(12)18(22)26;18-13-11-6-3-9(16(22)23)7-12(11)14(19)17(13)10-4-1-8(2-5-10)15(20)21;13-4-3-12-9(14)7-2-1-6(11(16)17)5-8(7)10(12)15;;;/h1-12,14-15H,13H2,(H,38,39)(H,40,41);4-9,16H,10-13H2,1-3H3,(H,35,36)(H,37,38);1-10H,11-12H2,(H,33,34)(H,35,36);1-4,7-8H,5-6H2,(H,27,28)(H,29,30);1-7H,(H,20,21)(H,22,23);1-2,5,13H,3-4H2,(H,16,17);3*1H4.

What are the key properties of 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane?

2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane has a molecular weight of 2552.33 g/mol, XLogP of 15.25, 28 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-carboxy-1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[3-[(5-carboxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;2-[[5-(5-carboxy-1,3-dioxoisoindol-2-yl)-1,3,3-trimethylcyclohexyl]methyl]-1,3-dioxoisoindole-5-carboxylic acid;2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid;2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid;methane is sourced from PubChem (CID 159214191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).