tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid

C72H98N10O11 — CID 159649050

About tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid (PubChem CID 159649050) has the molecular formula C72H98N10O11 and a molecular weight of 1279.63 g/mol. Its IUPAC name is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid
• PubChem CID: 159649050
• Molecular Formula: C72H98N10O11
• Molecular Weight: 1279.63 g/mol
• Exact Mass: 1278.74
• IUPAC Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3c(n2)C2=C(C3)C(=O)C(C)(C)CC2(C)C)C1.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCCC4)nc23)C1=O.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)O)nc23)C1=O
• InChI: InChI=1S/C26H35N3O4.C21H27N3O2.C16H18N2O3.C9H18N2O2/c1-24(2,3)33-23(32)29-11-10-16(13-29)27-22(31)18-9-8-15-12-17-19(20(15)28-18)25(4,5)14-26(6,7)21(17)30;1-20(2)11-21(3,4)18(25)17-15(20)16-13(23-17)9-10-14(24-16)19(26)22-12-7-5-6-8-12;1-15(2)7-16(3,4)13(19)12-10(15)11-8(17-12)5-6-9(18-11)14(20)21;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h8-9,16H,10-14H2,1-7H3,(H,27,31);9-10,12,23H,5-8,11H2,1-4H3,(H,22,26);5-6,17H,7H2,1-4H3,(H,20,21);7H,4-6,10H2,1-3H3
• InChIKey: MRIGWERFNAQRIE-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 302.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1279.63
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid?

The IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid (CID 159649050) is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid.

What is the SMILES notation for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid?

The canonical SMILES for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3c(n2)C2=C(C3)C(=O)C(C)(C)CC2(C)C)C1.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCCC4)nc23)C1=O.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)O)nc23)C1=O.

What is the InChIKey of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid?

The InChIKey is MRIGWERFNAQRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4.C21H27N3O2.C16H18N2O3.C9H18N2O2/c1-24(2,3)33-23(32)29-11-10-16(13-29)27-22(31)18-9-8-15-12-17-19(20(15)28-18)25(4,5)14-26(6,7)21(17)30;1-20(2)11-21(3,4)18(25)17-15(20)16-13(23-17)9-10-14(24-16)19(26)22-12-7-5-6-8-12;1-15(2)7-16(3,4)13(19)12-10(15)11-8(17-12)5-6-9(18-11)14(20)21;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h8-9,16H,10-14H2,1-7H3,(H,27,31);9-10,12,23H,5-8,11H2,1-4H3,(H,22,26);5-6,17H,7H2,1-4H3,(H,20,21);7H,4-6,10H2,1-3H3.

What are the key properties of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid?

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid has a molecular weight of 1279.63 g/mol, XLogP of 12.39, 5 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7,9,9-tetramethyl-6-oxo-5,8-dihydroindeno[1,2-b]pyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxamide;7,7,9,9-tetramethyl-6-oxo-5,8-dihydropyrido[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 159649050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).