(3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one

C23H34N2O3Si — CID 173495037

IUPAC(3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one
SMILESCc1cc2cc(C(=O)C[C@H]3NC(=O)[C@@H]3C(C)O[Si](C)(C)C(C)(C)C)ccc2n1C
InChIInChI=1S/C23H34N2O3Si/c1-14-11-17-12-16(9-10-19(17)25(14)6)20(26)13-18-21(22(27)24-18)15(2)28-29(7,8)23(3,4)5/h9-12,15,18,21H,13H2,1-8H3,(H,24,27)/t15?,18-,21-/m1/s1
InChIKeyXSPXDJORLUBNDK-DOSTUVGRSA-N
MW414.62 g/mol
LogP4.58
Rot. Bonds6

About (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one

(3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one (PubChem CID 173495037) has the molecular formula C23H34N2O3Si and a molecular weight of 414.62 g/mol. Its IUPAC name is (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one
PubChem CID173495037
Molecular FormulaC23H34N2O3Si
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC Name(3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one
SMILESCc1cc2cc(C(=O)C[C@H]3NC(=O)[C@@H]3C(C)O[Si](C)(C)C(C)(C)C)ccc2n1C
InChIInChI=1S/C23H34N2O3Si/c1-14-11-17-12-16(9-10-19(17)25(14)6)20(26)13-18-21(22(27)24-18)15(2)28-29(7,8)23(3,4)5/h9-12,15,18,21H,13H2,1-8H3,(H,24,27)/t15?,18-,21-/m1/s1
InChIKeyXSPXDJORLUBNDK-DOSTUVGRSA-N
XLogP4.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one (CID 173495037) is (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one is Cc1cc2cc(C(=O)C[C@H]3NC(=O)[C@@H]3C(C)O[Si](C)(C)C(C)(C)C)ccc2n1C.
What is the InChIKey of (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one?
The InChIKey is XSPXDJORLUBNDK-DOSTUVGRSA-N. The full InChI is InChI=1S/C23H34N2O3Si/c1-14-11-17-12-16(9-10-19(17)25(14)6)20(26)13-18-21(22(27)24-18)15(2)28-29(7,8)23(3,4)5/h9-12,15,18,21H,13H2,1-8H3,(H,24,27)/t15?,18-,21-/m1/s1.
What are the key properties of (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one?
(3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one has a molecular weight of 414.62 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-(1,2-dimethylindol-5-yl)-2-oxoethyl]azetidin-2-one is sourced from PubChem (CID 173495037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).