tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid

C72H89N7O11 — CID 159783785

About tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid (PubChem CID 159783785) has the molecular formula C72H89N7O11 and a molecular weight of 1228.54 g/mol. Its IUPAC name is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid
• PubChem CID: 159783785
• Molecular Formula: C72H89N7O11
• Molecular Weight: 1228.54 g/mol
• Exact Mass: 1227.66
• IUPAC Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3c(c2)C2=C(C3)C(=O)CCCC23CC3)C1.O=C(NC1CCCC1)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1.O=C(O)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1
• InChI: InChI=1S/C26H32N2O4.C21H24N2O2.C16H15NO3.C9H18N2O2/c1-25(2,3)32-24(31)28-12-8-18(15-28)27-23(30)17-7-6-16-13-20-21(29)5-4-9-26(10-11-26)22(20)19(16)14-17;24-17-6-3-9-21(10-11-21)18-15-12-13(7-8-16(15)23-19(17)18)20(25)22-14-4-1-2-5-14;18-12-2-1-5-16(6-7-16)13-10-8-9(15(19)20)3-4-11(10)17-14(12)13;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h6-7,14,18H,4-5,8-13,15H2,1-3H3,(H,27,30);7-8,12,14,23H,1-6,9-11H2,(H,22,25);3-4,8,17H,1-2,5-7H2,(H,19,20);7H,4-6,10H2,1-3H3
• InChIKey: NHRRBLXUGBZJDH-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 263.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1228.54
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid?

The IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid (CID 159783785) is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid.

What is the SMILES notation for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid?

The canonical SMILES for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3c(c2)C2=C(C3)C(=O)CCCC23CC3)C1.O=C(NC1CCCC1)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1.O=C(O)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1.

What is the InChIKey of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid?

The InChIKey is NHRRBLXUGBZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4.C21H24N2O2.C16H15NO3.C9H18N2O2/c1-25(2,3)32-24(31)28-12-8-18(15-28)27-23(30)17-7-6-16-13-20-21(29)5-4-9-26(10-11-26)22(20)19(16)14-17;24-17-6-3-9-21(10-11-21)18-15-12-13(7-8-16(15)23-19(17)18)20(25)22-14-4-1-2-5-14;18-12-2-1-5-16(6-7-16)13-10-8-9(15(19)20)3-4-11(10)17-14(12)13;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h6-7,14,18H,4-5,8-13,15H2,1-3H3,(H,27,30);7-8,12,14,23H,1-6,9-11H2,(H,22,25);3-4,8,17H,1-2,5-7H2,(H,19,20);7H,4-6,10H2,1-3H3.

What are the key properties of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid?

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid has a molecular weight of 1228.54 g/mol, XLogP of 12.73, 5 rotatable bonds, 6 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-[(9-oxospiro[6,7,8,10-tetrahydrobenzo[a]azulene-5,1'-cyclopropane]-3-carbonyl)amino]pyrrolidine-1-carboxylate;N-cyclopentyl-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide;6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxylic acid is sourced from PubChem (CID 159783785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).