2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate

C24H38FNO5Si — CID 142420440

IUPAC2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1C[C@](F)(CO[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C24H38FNO5Si/c1-22(2,3)31-21(28)26-16-24(25,17-30-32(7,8)23(4,5)6)14-19(26)20(27)29-15-18-12-10-9-11-13-18/h9-13,19H,14-17H2,1-8H3/t19-,24-/m0/s1
InChIKeyHUXVYWIVIQHOJA-CYFREDJKSA-N
MW467.65 g/mol
LogP5.47
Rot. Bonds6

About 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate

2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate (PubChem CID 142420440) has the molecular formula C24H38FNO5Si and a molecular weight of 467.65 g/mol. Its IUPAC name is 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate
PubChem CID142420440
Molecular FormulaC24H38FNO5Si
Molecular Weight467.65 g/mol
Exact Mass467.25
IUPAC Name2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1C[C@](F)(CO[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C24H38FNO5Si/c1-22(2,3)31-21(28)26-16-24(25,17-30-32(7,8)23(4,5)6)14-19(26)20(27)29-15-18-12-10-9-11-13-18/h9-13,19H,14-17H2,1-8H3/t19-,24-/m0/s1
InChIKeyHUXVYWIVIQHOJA-CYFREDJKSA-N
XLogP5.47
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
Z-O-tert-butyl-L-trans-4-hydroxyproline
CID 2802356
Boc-Hyp(Bzl)-OH
CID 11860409
(R)-2-benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 820870
Z-Pyr-OtBu
CID 10615573
2-Benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 13893414
6-benzyl 5-tert-butyl (6S)-5-azaspiro(2.4)heptane-5,6-dicarboxylate
CID 25324051
1-benzyl 2-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 49757938
(r)-1-Benzyl 2-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate
CID 124632369
2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate
CID 7019799
2-O-benzyl 1-O-tert-butyl (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate
CID 10927235

Frequently Asked Questions

What is the IUPAC name of 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate (CID 142420440) is 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1C[C@](F)(CO[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate?
The InChIKey is HUXVYWIVIQHOJA-CYFREDJKSA-N. The full InChI is InChI=1S/C24H38FNO5Si/c1-22(2,3)31-21(28)26-16-24(25,17-30-32(7,8)23(4,5)6)14-19(26)20(27)29-15-18-12-10-9-11-13-18/h9-13,19H,14-17H2,1-8H3/t19-,24-/m0/s1.
What are the key properties of 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate?
2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate has a molecular weight of 467.65 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 142420440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).