(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one

C19H29NO2Si — CID 10871270

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H29NO2Si/c1-14(21)17-16(13-12-15-10-8-7-9-11-15)20(18(17)22)23(5,6)19(2,3)4/h7-14,16-17,21H,1-6H3/b13-12+/t14-,16-,17+/m0/s1
InChIKeyPNTVTFMMOQPJLS-UIRODXMUSA-N
MW331.53 g/mol
LogP3.91
Rot. Bonds4

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 10871270) has the molecular formula C19H29NO2Si and a molecular weight of 331.53 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID10871270
Molecular FormulaC19H29NO2Si
Molecular Weight331.53 g/mol
Exact Mass331.20
IUPAC Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H29NO2Si/c1-14(21)17-16(13-12-15-10-8-7-9-11-15)20(18(17)22)23(5,6)19(2,3)4/h7-14,16-17,21H,1-6H3/b13-12+/t14-,16-,17+/m0/s1
InChIKeyPNTVTFMMOQPJLS-UIRODXMUSA-N
XLogP3.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 10871270) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one is C[C@H](O)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is PNTVTFMMOQPJLS-UIRODXMUSA-N. The full InChI is InChI=1S/C19H29NO2Si/c1-14(21)17-16(13-12-15-10-8-7-9-11-15)20(18(17)22)23(5,6)19(2,3)4/h7-14,16-17,21H,1-6H3/b13-12+/t14-,16-,17+/m0/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 331.53 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 10871270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).