3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid

C12H25NO3Si — CID 90457958

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(C(=O)O)C1
InChIInChI=1S/C12H25NO3Si/c1-12(2,3)17(4,5)16-9-10-6-7-13(8-10)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyPGDWEZKXOSYVPV-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.01
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid

3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 90457958) has the molecular formula C12H25NO3Si and a molecular weight of 259.42 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID90457958
Molecular FormulaC12H25NO3Si
Molecular Weight259.42 g/mol
Exact Mass259.16
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(C(=O)O)C1
InChIInChI=1S/C12H25NO3Si/c1-12(2,3)17(4,5)16-9-10-6-7-13(8-10)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyPGDWEZKXOSYVPV-UHFFFAOYSA-N
XLogP3.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
CID 90311649
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 66732037
(3S)-3-(methylsulfanylcarbothioyloxymethyl)pyrrolidine-1-carboxylic acid
CID 121256324
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid
CID 174233839
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
tert-butyl (2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)piperidine-1-carboxylate
CID 150868711
(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 121256393
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid (CID 90457958) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)OCC1CCN(C(=O)O)C1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is PGDWEZKXOSYVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3Si/c1-12(2,3)17(4,5)16-9-10-6-7-13(8-10)11(14)15/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 259.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90457958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).