methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate

C18H35NO6Si — CID 11338269

IUPACmethyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1([C@@H](O[Si](C)(C)C(C)C)C(C)C)NC(=O)[C@H](CCO)[C@]1(C)O
InChIInChI=1S/C18H35NO6Si/c1-11(2)14(25-26(7,8)12(3)4)18(16(22)24-6)17(5,23)13(9-10-20)15(21)19-18/h11-14,20,23H,9-10H2,1-8H3,(H,19,21)/t13-,14-,17-,18-/m0/s1
InChIKeyANLYCNOIZPJGQY-USJZOSNVSA-N
MW389.57 g/mol
LogP1.43
Rot. Bonds8

About methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate

methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 11338269) has the molecular formula C18H35NO6Si and a molecular weight of 389.57 g/mol. Its IUPAC name is methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID11338269
Molecular FormulaC18H35NO6Si
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC Namemethyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1([C@@H](O[Si](C)(C)C(C)C)C(C)C)NC(=O)[C@H](CCO)[C@]1(C)O
InChIInChI=1S/C18H35NO6Si/c1-11(2)14(25-26(7,8)12(3)4)18(16(22)24-6)17(5,23)13(9-10-20)15(21)19-18/h11-14,20,23H,9-10H2,1-8H3,(H,19,21)/t13-,14-,17-,18-/m0/s1
InChIKeyANLYCNOIZPJGQY-USJZOSNVSA-N
XLogP1.43
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate (CID 11338269) is methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@]1([C@@H](O[Si](C)(C)C(C)C)C(C)C)NC(=O)[C@H](CCO)[C@]1(C)O.
What is the InChIKey of methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ANLYCNOIZPJGQY-USJZOSNVSA-N. The full InChI is InChI=1S/C18H35NO6Si/c1-11(2)14(25-26(7,8)12(3)4)18(16(22)24-6)17(5,23)13(9-10-20)15(21)19-18/h11-14,20,23H,9-10H2,1-8H3,(H,19,21)/t13-,14-,17-,18-/m0/s1.
What are the key properties of methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 389.57 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-2-[(1S)-1-[dimethyl(propan-2-yl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 11338269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).