methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate

C22H33NO6Si — CID 10928233

IUPACmethyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C22H33NO6Si/c1-15-18(29-30(7,8)21(2,3)4)22(14-24,20(26)28-6)23(19(15)25)13-16-9-11-17(27-5)12-10-16/h9-12,14-15,18H,13H2,1-8H3/t15-,18+,22-/m1/s1
InChIKeyPWWNWELEIQFSAC-FXCLAUTBSA-N
MW435.59 g/mol
LogP3.17
Rot. Bonds7

About methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate

methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 10928233) has the molecular formula C22H33NO6Si and a molecular weight of 435.59 g/mol. Its IUPAC name is methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID10928233
Molecular FormulaC22H33NO6Si
Molecular Weight435.59 g/mol
Exact Mass435.21
IUPAC Namemethyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C22H33NO6Si/c1-15-18(29-30(7,8)21(2,3)4)22(14-24,20(26)28-6)23(19(15)25)13-16-9-11-17(27-5)12-10-16/h9-12,14-15,18H,13H2,1-8H3/t15-,18+,22-/m1/s1
InChIKeyPWWNWELEIQFSAC-FXCLAUTBSA-N
XLogP3.17
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate 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 methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate (CID 10928233) is methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@@]1(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is PWWNWELEIQFSAC-FXCLAUTBSA-N. The full InChI is InChI=1S/C22H33NO6Si/c1-15-18(29-30(7,8)21(2,3)4)22(14-24,20(26)28-6)23(19(15)25)13-16-9-11-17(27-5)12-10-16/h9-12,14-15,18H,13H2,1-8H3/t15-,18+,22-/m1/s1.
What are the key properties of methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 435.59 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 10928233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).