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

C19H37NO6Si — CID 11315655

IUPACmethyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)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)C)NC(=O)[C@H](CCO)[C@]1(C)O
InChIInChI=1S/C19H37NO6Si/c1-12(2)14(26-27(8,9)17(3,4)5)19(16(23)25-7)18(6,24)13(10-11-21)15(22)20-19/h12-14,21,24H,10-11H2,1-9H3,(H,20,22)/t13-,14-,18-,19-/m0/s1
InChIKeyPFJYSZKEPXDOOM-LSOMNZGLSA-N
MW403.59 g/mol
LogP1.82
Rot. Bonds7

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

methyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 11315655) has the molecular formula C19H37NO6Si and a molecular weight of 403.59 g/mol. Its IUPAC name is methyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)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-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID11315655
Molecular FormulaC19H37NO6Si
Molecular Weight403.59 g/mol
Exact Mass403.24
IUPAC Namemethyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)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)C)NC(=O)[C@H](CCO)[C@]1(C)O
InChIInChI=1S/C19H37NO6Si/c1-12(2)14(26-27(8,9)17(3,4)5)19(16(23)25-7)18(6,24)13(10-11-21)15(22)20-19/h12-14,21,24H,10-11H2,1-9H3,(H,20,22)/t13-,14-,18-,19-/m0/s1
InChIKeyPFJYSZKEPXDOOM-LSOMNZGLSA-N
XLogP1.82
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 51.82
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-[tert-butyl(dimethyl)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-[tert-butyl(dimethyl)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-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate (CID 11315655) is methyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)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-[tert-butyl(dimethyl)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-[tert-butyl(dimethyl)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)C)NC(=O)[C@H](CCO)[C@]1(C)O.
What is the InChIKey of methyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is PFJYSZKEPXDOOM-LSOMNZGLSA-N. The full InChI is InChI=1S/C19H37NO6Si/c1-12(2)14(26-27(8,9)17(3,4)5)19(16(23)25-7)18(6,24)13(10-11-21)15(22)20-19/h12-14,21,24H,10-11H2,1-9H3,(H,20,22)/t13-,14-,18-,19-/m0/s1.
What are the key properties of methyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
methyl (2R,3S,4R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 403.59 g/mol, XLogP of 1.82, 7 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-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 11315655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).