(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one

C11H24N2O2Si — CID 70225324

IUPAC(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one
SMILESC[C@@H]1CN(O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1N
InChIInChI=1S/C11H24N2O2Si/c1-8-7-13(10(14)9(8)12)15-16(5,6)11(2,3)4/h8-9H,7,12H2,1-6H3/t8-,9-/m1/s1
InChIKeyOYQISUBLACRYMH-RKDXNWHRSA-N
MW244.41 g/mol
LogP1.73
Rot. Bonds2

About (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one

(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one (PubChem CID 70225324) has the molecular formula C11H24N2O2Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one
PubChem CID70225324
Molecular FormulaC11H24N2O2Si
Molecular Weight244.41 g/mol
Exact Mass244.16
IUPAC Name(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one
SMILESC[C@@H]1CN(O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1N
InChIInChI=1S/C11H24N2O2Si/c1-8-7-13(10(14)9(8)12)15-16(5,6)11(2,3)4/h8-9H,7,12H2,1-6H3/t8-,9-/m1/s1
InChIKeyOYQISUBLACRYMH-RKDXNWHRSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one (CID 70225324) is (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one is C[C@@H]1CN(O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1N.
What is the InChIKey of (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
The InChIKey is OYQISUBLACRYMH-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H24N2O2Si/c1-8-7-13(10(14)9(8)12)15-16(5,6)11(2,3)4/h8-9H,7,12H2,1-6H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one has a molecular weight of 244.41 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one is sourced from PubChem (CID 70225324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).