1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate

C18H35NO6Si — CID 140733581

IUPAC1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO6Si/c1-16(2,3)24-15(21)19-12(14(20)23-8)11-13(18(19,7)22)25-26(9,10)17(4,5)6/h12-13,22H,11H2,1-10H3/t12-,13-,18?/m0/s1
InChIKeyUDGQYINWVGHRCT-TVJRNMROSA-N
MW389.57 g/mol
LogP3.27
Rot. Bonds3

About 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate (PubChem CID 140733581) has the molecular formula C18H35NO6Si and a molecular weight of 389.57 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate
PubChem CID140733581
Molecular FormulaC18H35NO6Si
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO6Si/c1-16(2,3)24-15(21)19-12(14(20)23-8)11-13(18(19,7)22)25-26(9,10)17(4,5)6/h12-13,22H,11H2,1-10H3/t12-,13-,18?/m0/s1
InChIKeyUDGQYINWVGHRCT-TVJRNMROSA-N
XLogP3.27
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate (CID 140733581) is 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate?
The InChIKey is UDGQYINWVGHRCT-TVJRNMROSA-N. The full InChI is InChI=1S/C18H35NO6Si/c1-16(2,3)24-15(21)19-12(14(20)23-8)11-13(18(19,7)22)25-26(9,10)17(4,5)6/h12-13,22H,11H2,1-10H3/t12-,13-,18?/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate has a molecular weight of 389.57 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 140733581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).