tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate

C18H35NO6Si — CID 11794716

IUPACtert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C(O)C(O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO6Si/c1-11(25-26(9,10)17(5,6)7)18(8)13(21)12(20)14(22)19(18)15(23)24-16(2,3)4/h11-13,20-21H,1-10H3/t11-,12?,13?,18+/m0/s1
InChIKeyXRXVJCOQBDYSOE-BRHYBRFTSA-N
MW389.57 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 11794716) has the molecular formula C18H35NO6Si and a molecular weight of 389.57 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
PubChem CID11794716
Molecular FormulaC18H35NO6Si
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC Nametert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C(O)C(O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO6Si/c1-11(25-26(9,10)17(5,6)7)18(8)13(21)12(20)14(22)19(18)15(23)24-16(2,3)4/h11-13,20-21H,1-10H3/t11-,12?,13?,18+/m0/s1
InChIKeyXRXVJCOQBDYSOE-BRHYBRFTSA-N
XLogP2.65
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 46934909
1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 11246673
1-O-tert-butyl 2-O-methyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 11304233
tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 46915753

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate (CID 11794716) is tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate is C[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C(O)C(O)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is XRXVJCOQBDYSOE-BRHYBRFTSA-N. The full InChI is InChI=1S/C18H35NO6Si/c1-11(25-26(9,10)17(5,6)7)18(8)13(21)12(20)14(22)19(18)15(23)24-16(2,3)4/h11-13,20-21H,1-10H3/t11-,12?,13?,18+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 389.57 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11794716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).