tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C65H72N4O7 — CID 158915404

About tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 158915404) has the molecular formula C65H72N4O7 and a molecular weight of 1021.31 g/mol. Its IUPAC name is tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• PubChem CID: 158915404
• Molecular Formula: C65H72N4O7
• Molecular Weight: 1021.31 g/mol
• Exact Mass: 1020.54
• IUPAC Name: tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C1CCC(CN2CCCC2)C1.C1CCCC1.CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1.CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C1
• InChI: InChI=1S/C26H2.C14H24N2O3.C10H17NO4.C10H19N.C5H10/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;1-14(2,3)19-13(18)16-9-6-11(10-16)12(17)15-7-4-5-8-15;1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13;1-2-6-10(5-1)9-11-7-3-4-8-11;1-2-4-5-3-1/h1-2H;11H,4-10H2,1-3H3;7H,4-6H2,1-3H3,(H,12,13);10H,1-9H2;1-5H2/t;11-;7-;;/m.11../s1
• InChIKey: JHDZTTYFXDMMBR-DYOMKPGQSA-N
• XLogP: 7.71
• TPSA: 119.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.31
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (CID 158915404) is tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C1CCC(CN2CCCC2)C1.C1CCCC1.CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1.CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C1.

What is the InChIKey of tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

The InChIKey is JHDZTTYFXDMMBR-DYOMKPGQSA-N. The full InChI is InChI=1S/C26H2.C14H24N2O3.C10H17NO4.C10H19N.C5H10/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;1-14(2,3)19-13(18)16-9-6-11(10-16)12(17)15-7-4-5-8-15;1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13;1-2-6-10(5-1)9-11-7-3-4-8-11;1-2-4-5-3-1/h1-2H;11H,4-10H2,1-3H3;7H,4-6H2,1-3H3,(H,12,13);10H,1-9H2;1-5H2/t;11-;7-;;/m.11../s1.

What are the key properties of tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?

tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 1021.31 g/mol, XLogP of 7.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 158915404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).