tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C53H90ClN5O11Si2 — CID 167632675

About tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 167632675) has the molecular formula C53H90ClN5O11Si2 and a molecular weight of 1064.95 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
• PubChem CID: 167632675
• Molecular Formula: C53H90ClN5O11Si2
• Molecular Weight: 1064.95 g/mol
• Exact Mass: 1063.59
• IUPAC Name: tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2)c1.Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)c1.Cl
• InChI: InChI=1S/C24H40N2O4Si.C16H31NO5Si.C13H18N2O2.ClH/c1-17-12-11-13-18(14-17)25(8)21(27)20-15-19(30-31(9,10)24(5,6)7)16-26(20)22(28)29-23(2,3)4;1-15(2,3)21-14(20)17-10-11(9-12(17)13(18)19)22-23(7,8)16(4,5)6;1-9-4-3-5-10(6-9)15(2)13(17)12-7-11(16)8-14-12;/h11-14,19-20H,15-16H2,1-10H3;11-12H,9-10H2,1-8H3,(H,18,19);3-6,11-12,14,16H,7-8H2,1-2H3;1H/t19-,20-;2*11-,12-;/m000./s1
• InChIKey: GVDYPVZVURZGEH-RYNXWJDISA-N
• XLogP: 9.93
• TPSA: 187.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1064.95
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?

The IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 167632675) is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?

The canonical SMILES for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2)c1.Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)c1.Cl.

What is the InChIKey of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?

The InChIKey is GVDYPVZVURZGEH-RYNXWJDISA-N. The full InChI is InChI=1S/C24H40N2O4Si.C16H31NO5Si.C13H18N2O2.ClH/c1-17-12-11-13-18(14-17)25(8)21(27)20-15-19(30-31(9,10)24(5,6)7)16-26(20)22(28)29-23(2,3)4;1-15(2,3)21-14(20)17-10-11(9-12(17)13(18)19)22-23(7,8)16(4,5)6;1-9-4-3-5-10(6-9)15(2)13(17)12-7-11(16)8-14-12;/h11-14,19-20H,15-16H2,1-10H3;11-12H,9-10H2,1-8H3,(H,18,19);3-6,11-12,14,16H,7-8H2,1-2H3;1H/t19-,20-;2*11-,12-;/m000./s1.

What are the key properties of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?

tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 1064.95 g/mol, XLogP of 9.93, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 167632675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).