benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate

C109H154N8O18 — CID 160569851

About benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate

benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate (PubChem CID 160569851) has the molecular formula C109H154N8O18 and a molecular weight of 1864.47 g/mol. Its IUPAC name is benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate
• PubChem CID: 160569851
• Molecular Formula: C109H154N8O18
• Molecular Weight: 1864.47 g/mol
• Exact Mass: 1863.14
• IUPAC Name: benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate
• SMILES: CC(C)(C)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.CC(C)(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C(C)(C)C.CC(C)(C)OC(=O)N[C@@H](C(=O)C(C)(C)C)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)(C)C.CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C
• InChI: InChI=1S/C23H26N2O3.C20H28N2O3.C18H27NO3.C17H23NO3.C17H25NO3.C14H25NO3/c1-23(2,3)21(26)20(13-17-14-24-19-12-8-7-11-18(17)19)25-22(27)28-15-16-9-5-4-6-10-16;1-19(2,3)17(23)16(22-18(24)25-20(4,5)6)11-13-12-21-15-10-8-7-9-14(13)15;1-17(2,3)15(20)14(12-13-10-8-7-9-11-13)19-16(21)22-18(4,5)6;1-17(2,3)15(19)14-10-7-11-18(14)16(20)21-12-13-8-5-4-6-9-13;1-16(2,3)14(19)13(12-10-8-7-9-11-12)18-15(20)21-17(4,5)6;1-13(2,3)11(16)10-8-7-9-15(10)12(17)18-14(4,5)6/h4-12,14,20,24H,13,15H2,1-3H3,(H,25,27);7-10,12,16,21H,11H2,1-6H3,(H,22,24);7-11,14H,12H2,1-6H3,(H,19,21);4-6,8-9,14H,7,10-12H2,1-3H3;7-11,13H,1-6H3,(H,18,20);10H,7-9H2,1-6H3/t20-;16-;2*14-;13-;10-/m001010/s1
• InChIKey: RAKCWXIGVGGAHY-XCWSDWKGSA-N
• XLogP: 22.85
• TPSA: 346.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1864.47
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate?

The IUPAC name of benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate (CID 160569851) is benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate.

What is the SMILES notation for benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate?

The canonical SMILES for benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate is CC(C)(C)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.CC(C)(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C(C)(C)C.CC(C)(C)OC(=O)N[C@@H](C(=O)C(C)(C)C)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)(C)C.CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C.

What is the InChIKey of benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate?

The InChIKey is RAKCWXIGVGGAHY-XCWSDWKGSA-N. The full InChI is InChI=1S/C23H26N2O3.C20H28N2O3.C18H27NO3.C17H23NO3.C17H25NO3.C14H25NO3/c1-23(2,3)21(26)20(13-17-14-24-19-12-8-7-11-18(17)19)25-22(27)28-15-16-9-5-4-6-10-16;1-19(2,3)17(23)16(22-18(24)25-20(4,5)6)11-13-12-21-15-10-8-7-9-14(13)15;1-17(2,3)15(20)14(12-13-10-8-7-9-11-13)19-16(21)22-18(4,5)6;1-17(2,3)15(19)14-10-7-11-18(14)16(20)21-12-13-8-5-4-6-9-13;1-16(2,3)14(19)13(12-10-8-7-9-11-12)18-15(20)21-17(4,5)6;1-13(2,3)11(16)10-8-7-9-15(10)12(17)18-14(4,5)6/h4-12,14,20,24H,13,15H2,1-3H3,(H,25,27);7-10,12,16,21H,11H2,1-6H3,(H,22,24);7-11,14H,12H2,1-6H3,(H,19,21);4-6,8-9,14H,7,10-12H2,1-3H3;7-11,13H,1-6H3,(H,18,20);10H,7-9H2,1-6H3/t20-;16-;2*14-;13-;10-/m001010/s1.

What are the key properties of benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate?

benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate has a molecular weight of 1864.47 g/mol, XLogP of 22.85, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;benzyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate;tert-butyl N-[(1R)-3,3-dimethyl-2-oxo-1-phenylbutyl]carbamate;tert-butyl N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]carbamate;tert-butyl (2S)-2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]carbamate is sourced from PubChem (CID 160569851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).