methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate

C17H33NO6Si — CID 11245822

IUPACmethyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(CO)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1OC
InChIInChI=1S/C17H33NO6Si/c1-11(2)25(12(3)4,13(5)6)24-14-9-17(10-19,16(21)22-7)18(23-8)15(14)20/h11-14,19H,9-10H2,1-8H3/t14-,17-/m0/s1
InChIKeyCUVANXIKGVXLON-YOEHRIQHSA-N
MW375.54 g/mol
LogP2.24
Rot. Bonds8

About methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate

methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate (PubChem CID 11245822) has the molecular formula C17H33NO6Si and a molecular weight of 375.54 g/mol. Its IUPAC name is methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate
PubChem CID11245822
Molecular FormulaC17H33NO6Si
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Namemethyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(CO)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1OC
InChIInChI=1S/C17H33NO6Si/c1-11(2)25(12(3)4,13(5)6)24-14-9-17(10-19,16(21)22-7)18(23-8)15(14)20/h11-14,19H,9-10H2,1-8H3/t14-,17-/m0/s1
InChIKeyCUVANXIKGVXLON-YOEHRIQHSA-N
XLogP2.24
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 11246673
1-O-tert-butyl 2-O-methyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 11304233

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate (CID 11245822) is methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate is COC(=O)[C@@]1(CO)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1OC.
What is the InChIKey of methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate?
The InChIKey is CUVANXIKGVXLON-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H33NO6Si/c1-11(2)25(12(3)4,13(5)6)24-14-9-17(10-19,16(21)22-7)18(23-8)15(14)20/h11-14,19H,9-10H2,1-8H3/t14-,17-/m0/s1.
What are the key properties of methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate?
methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate has a molecular weight of 375.54 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate is sourced from PubChem (CID 11245822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).