ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate

C20H37NO6Si — CID 25138495

IUPACditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO6Si/c1-18(2,3)25-16(23)13-12-14(27-28(10,11)20(7,8)9)15(22)21(13)17(24)26-19(4,5)6/h13-14H,12H2,1-11H3/t13-,14+/m0/s1
InChIKeyBXZVMOPJQUPVQL-UONOGXRCSA-N
MW415.60 g/mol
LogP4.25
Rot. Bonds3

About ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate

ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 25138495) has the molecular formula C20H37NO6Si and a molecular weight of 415.60 g/mol. Its IUPAC name is ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID25138495
Molecular FormulaC20H37NO6Si
Molecular Weight415.60 g/mol
Exact Mass415.24
IUPAC Nameditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO6Si/c1-18(2,3)25-16(23)13-12-14(27-28(10,11)20(7,8)9)15(22)21(13)17(24)26-19(4,5)6/h13-14H,12H2,1-11H3/t13-,14+/m0/s1
InChIKeyBXZVMOPJQUPVQL-UONOGXRCSA-N
XLogP4.25
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-tert-butyl 2-methyl 4-(tert-butyldimethylsilyloxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11793755
1-O-tert-butyl 2-O-methyl (2S,4S)-4-acetyloxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 15516198
1-O-tert-butyl 2-O-methyl 4-(6-fluorohexoxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 58240582
1-tert-Butyl 2-methyl 4-(2-fluoroethoxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 58240599
1-O-tert-butyl 2-O-methyl (4S)-4-(2-fluoroethoxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 58331118
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-fluoroethoxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 58331128
1-O-tert-butyl 2-O-methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 76712083
1-O-tert-butyl 2-O-methyl (2S)-4-(2-fluoroethoxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 89271732
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(2-fluoroethoxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 147068755
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 102027970
1-O-tert-butyl 2-O-methyl (2S)-4-(3-trimethoxysilylpropoxy)pyrrolidine-1,2-dicarboxylate
CID 134946722
Pyroglutamic acid, N-isoBOC TBDMS
CID 6430000

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate (CID 25138495) is ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is BXZVMOPJQUPVQL-UONOGXRCSA-N. The full InChI is InChI=1S/C20H37NO6Si/c1-18(2,3)25-16(23)13-12-14(27-28(10,11)20(7,8)9)15(22)21(13)17(24)26-19(4,5)6/h13-14H,12H2,1-11H3/t13-,14+/m0/s1.
What are the key properties of ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 415.60 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 25138495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).