3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid

C12H23NO5Si — CID 22252969

IUPAC3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)O)C1C(=O)O
InChIInChI=1S/C12H23NO5Si/c1-12(2,3)19(4,5)18-8-6-7-13(11(16)17)9(8)10(14)15/h8-9H,6-7H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyPLADLMFPOTXWSK-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.21
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid

3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid (PubChem CID 22252969) has the molecular formula C12H23NO5Si and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid
PubChem CID22252969
Molecular FormulaC12H23NO5Si
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)O)C1C(=O)O
InChIInChI=1S/C12H23NO5Si/c1-12(2,3)19(4,5)18-8-6-7-13(11(16)17)9(8)10(14)15/h8-9H,6-7H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyPLADLMFPOTXWSK-UHFFFAOYSA-N
XLogP2.21
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Boc-cis-3-hydroxy-D-proline
CID 14037016
(2R,3R)-1-((tert-Butoxy)carbonyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 10657135
(2S,3R)-3-Hydroxypyrrolidine-2-carboxylic acid, N-BOC protected
CID 11096439
1-((Tert-butoxy)carbonyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 14037015
1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,3S)-rel-
CID 10988545
1-tert-Butyl 2-methyl (2R,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 11075706
1-tert-butyl 2-methyl (2S,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 14729253
(2S)-1-acetyl-3-hydroxypyrrolidine-2-carboxylic acid
CID 18595220
(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 18641509
(2S,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 21636779
1-Tert-butyl 2-methyl (2R,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 22940431
(2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 68283966

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid (CID 22252969) is 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid is CC(C)(C)[Si](C)(C)OC1CCN(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid?
The InChIKey is PLADLMFPOTXWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5Si/c1-12(2,3)19(4,5)18-8-6-7-13(11(16)17)9(8)10(14)15/h8-9H,6-7H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid?
3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid has a molecular weight of 289.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 22252969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).