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

C10H22N2O2Si — CID 18632702

IUPAC(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@H](N)[C@@H]1CO
InChIInChI=1S/C10H22N2O2Si/c1-10(2,3)15(4,5)12-7(6-13)8(11)9(12)14/h7-8,13H,6,11H2,1-5H3/t7-,8+/m0/s1
InChIKeyFTQHFOYNVBHYPX-JGVFFNPUSA-N
MW230.38 g/mol
LogP0.52
Rot. Bonds2

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

(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one (PubChem CID 18632702) has the molecular formula C10H22N2O2Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one
PubChem CID18632702
Molecular FormulaC10H22N2O2Si
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@H](N)[C@@H]1CO
InChIInChI=1S/C10H22N2O2Si/c1-10(2,3)15(4,5)12-7(6-13)8(11)9(12)14/h7-8,13H,6,11H2,1-5H3/t7-,8+/m0/s1
InChIKeyFTQHFOYNVBHYPX-JGVFFNPUSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
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]-4-(hydroxymethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one (CID 18632702) is (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one is CC(C)(C)[Si](C)(C)N1C(=O)[C@H](N)[C@@H]1CO.
What is the InChIKey of (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one?
The InChIKey is FTQHFOYNVBHYPX-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H22N2O2Si/c1-10(2,3)15(4,5)12-7(6-13)8(11)9(12)14/h7-8,13H,6,11H2,1-5H3/t7-,8+/m0/s1.
What are the key properties of (3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one?
(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one has a molecular weight of 230.38 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 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]-4-(hydroxymethyl)azetidin-2-one is sourced from PubChem (CID 18632702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).