tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid

C77H100N8O11 — CID 157399105

About tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid (PubChem CID 157399105) has the molecular formula C77H100N8O11 and a molecular weight of 1313.69 g/mol. Its IUPAC name is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid
• PubChem CID: 157399105
• Molecular Formula: C77H100N8O11
• Molecular Weight: 1313.69 g/mol
• Exact Mass: 1312.75
• IUPAC Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C2(CCC2)CC(C)(C)C4=O)C1.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)O)cc23)C1=O
• InChI: InChI=1S/C27H35N3O4.C23H28N2O2.C18H19NO3.C9H18N2O2/c1-25(2,3)34-24(33)30-12-9-17(14-30)28-23(32)16-7-8-19-18(13-16)20-21(29-19)22(31)26(4,5)15-27(20)10-6-11-27;1-22(2)13-23(10-5-11-23)18-16-12-14(21(27)24-15-6-3-4-7-15)8-9-17(16)25-19(18)20(22)26;1-17(2)9-18(6-3-7-18)13-11-8-10(16(21)22)4-5-12(11)19-14(13)15(17)20;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7-8,13,17,29H,6,9-12,14-15H2,1-5H3,(H,28,32);8-9,12,15,25H,3-7,10-11,13H2,1-2H3,(H,24,27);4-5,8,19H,3,6-7,9H2,1-2H3,(H,21,22);7H,4-6,10H2,1-3H3
• InChIKey: BMXWTTBUNKZDBE-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 279.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1313.69
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid?

The IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid (CID 157399105) is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid.

What is the SMILES notation for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid?

The canonical SMILES for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C2(CCC2)CC(C)(C)C4=O)C1.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)O)cc23)C1=O.

What is the InChIKey of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid?

The InChIKey is BMXWTTBUNKZDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4.C23H28N2O2.C18H19NO3.C9H18N2O2/c1-25(2,3)34-24(33)30-12-9-17(14-30)28-23(32)16-7-8-19-18(13-16)20-21(29-19)22(31)26(4,5)15-27(20)10-6-11-27;1-22(2)13-23(10-5-11-23)18-16-12-14(21(27)24-15-6-3-4-7-15)8-9-17(16)25-19(18)20(22)26;1-17(2)9-18(6-3-7-18)13-11-8-10(16(21)22)4-5-12(11)19-14(13)15(17)20;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7-8,13,17,29H,6,9-12,14-15H2,1-5H3,(H,28,32);8-9,12,15,25H,3-7,10-11,13H2,1-2H3,(H,24,27);4-5,8,19H,3,6-7,9H2,1-2H3,(H,21,22);7H,4-6,10H2,1-3H3.

What are the key properties of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid?

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid has a molecular weight of 1313.69 g/mol, XLogP of 14.67, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxylic acid is sourced from PubChem (CID 157399105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).