tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate

C16H31NO6Si — CID 46915753

IUPACtert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO6Si/c1-15(2,3)23-14(21)17-10(11(18)12(19)13(17)20)9-22-24(7,8)16(4,5)6/h10-12,18-19H,9H2,1-8H3/t10-,11-,12-/m0/s1
InChIKeyTWRQFGIFMAKLGJ-SRVKXCTJSA-N
MW361.51 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 46915753) has the molecular formula C16H31NO6Si and a molecular weight of 361.51 g/mol. Its IUPAC name is tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID46915753
Molecular FormulaC16H31NO6Si
Molecular Weight361.51 g/mol
Exact Mass361.19
IUPAC Nametert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO6Si/c1-15(2,3)23-14(21)17-10(11(18)12(19)13(17)20)9-22-24(7,8)16(4,5)6/h10-12,18-19H,9H2,1-8H3/t10-,11-,12-/m0/s1
InChIKeyTWRQFGIFMAKLGJ-SRVKXCTJSA-N
XLogP1.88
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 51.88
H-Bond Donors ≤ 52
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 tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (CID 46915753) is tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is TWRQFGIFMAKLGJ-SRVKXCTJSA-N. The full InChI is InChI=1S/C16H31NO6Si/c1-15(2,3)23-14(21)17-10(11(18)12(19)13(17)20)9-22-24(7,8)16(4,5)6/h10-12,18-19H,9H2,1-8H3/t10-,11-,12-/m0/s1.
What are the key properties of tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 361.51 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 46915753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).