(2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester

C16H30FNO5Si — CID 68283966

IUPAC(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@H]1C(=O)O)O[Si](C)(C)C(C)(C)C)F
InChIInChI=1S/C16H30FNO5Si/c1-15(2,3)22-14(21)18-9-10(17)12(11(18)13(19)20)23-24(7,8)16(4,5)6/h10-12H,9H2,1-8H3,(H,19,20)/t10-,11-,12+/m0/s1
InChIKeyHVEYLXRNSITVJT-SDDRHHMPSA-N
MW363.50 g/mol
LogP—
Rot. Bonds6

About (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester

(2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester (PubChem CID 68283966) has the molecular formula C16H30FNO5Si and a molecular weight of 363.50 g/mol. Its IUPAC name is (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
PubChem CID68283966
Molecular FormulaC16H30FNO5Si
Molecular Weight363.50 g/mol
Exact Mass363.19
IUPAC Name(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@H]1C(=O)O)O[Si](C)(C)C(C)(C)C)F
InChIInChI=1S/C16H30FNO5Si/c1-15(2,3)22-14(21)18-9-10(17)12(11(18)13(19)20)23-24(7,8)16(4,5)6/h10-12H,9H2,1-8H3,(H,19,20)/t10-,11-,12+/m0/s1
InChIKeyHVEYLXRNSITVJT-SDDRHHMPSA-N
XLogP—
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity498

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester?
The IUPAC name of (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester (CID 68283966) is (2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester?
The canonical SMILES for (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester is CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@H]1C(=O)O)O[Si](C)(C)C(C)(C)C)F.
What is the InChIKey of (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester?
The InChIKey is HVEYLXRNSITVJT-SDDRHHMPSA-N. The full InChI is InChI=1S/C16H30FNO5Si/c1-15(2,3)22-14(21)18-9-10(17)12(11(18)13(19)20)23-24(7,8)16(4,5)6/h10-12H,9H2,1-8H3,(H,19,20)/t10-,11-,12+/m0/s1.
What are the key properties of (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester?
(2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester has a molecular weight of 363.50 g/mol, XLogP of not available, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester is sourced from PubChem (CID 68283966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).