methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate

C13H26NO3Si- — CID 91868283

IUPACmethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate
SMILESCOC(=O)C1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[N-]1
InChIInChI=1S/C13H26NO3Si/c1-12(2,3)18(6,7)17-10-8-13(4,14-9-10)11(15)16-5/h10H,8-9H2,1-7H3/q-1/t10-,13?/m1/s1
InChIKeyADVXJWYIBRFAQH-VUUHIHSGSA-N
MW272.44 g/mol
LogP3.09
Rot. Bonds3

About methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate

methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate (PubChem CID 91868283) has the molecular formula C13H26NO3Si- and a molecular weight of 272.44 g/mol. Its IUPAC name is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate
PubChem CID91868283
Molecular FormulaC13H26NO3Si-
Molecular Weight272.44 g/mol
Exact Mass272.17
IUPAC Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate
SMILESCOC(=O)C1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[N-]1
InChIInChI=1S/C13H26NO3Si/c1-12(2,3)18(6,7)17-10-8-13(4,14-9-10)11(15)16-5/h10H,8-9H2,1-7H3/q-1/t10-,13?/m1/s1
InChIKeyADVXJWYIBRFAQH-VUUHIHSGSA-N
XLogP3.09
TPSA49.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
CID 141358006
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
methyl (3aS,4S,5R,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate
CID 59912939
methyl (3aR,4R,5S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate
CID 11474353
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
CID 174067211
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 159982570
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid
CID 89397320
ethyl (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
CID 11234702
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate?
The IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate (CID 91868283) is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate.
What is the SMILES notation for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate?
The canonical SMILES for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate is COC(=O)C1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[N-]1.
What is the InChIKey of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate?
The InChIKey is ADVXJWYIBRFAQH-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H26NO3Si/c1-12(2,3)18(6,7)17-10-8-13(4,14-9-10)11(15)16-5/h10H,8-9H2,1-7H3/q-1/t10-,13?/m1/s1.
What are the key properties of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate?
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate has a molecular weight of 272.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate is sourced from PubChem (CID 91868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).