(3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one

C14H17NO3 — CID 11831756

IUPAC(3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCO[C@H]1C(=O)N(CCO)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO3/c1-18-13-12(15(9-10-16)14(13)17)8-7-11-5-3-2-4-6-11/h2-8,12-13,16H,9-10H2,1H3/b8-7+/t12-,13+/m0/s1
InChIKeyXLSJAVKRTVXBLX-AHYBDNRGSA-N
MW247.29 g/mol
LogP0.92
Rot. Bonds5

About (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one

(3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 11831756) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID11831756
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCO[C@H]1C(=O)N(CCO)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO3/c1-18-13-12(15(9-10-16)14(13)17)8-7-11-5-3-2-4-6-11/h2-8,12-13,16H,9-10H2,1H3/b8-7+/t12-,13+/m0/s1
InChIKeyXLSJAVKRTVXBLX-AHYBDNRGSA-N
XLogP0.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134919598
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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 11831756) is (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one is CO[C@H]1C(=O)N(CCO)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is XLSJAVKRTVXBLX-AHYBDNRGSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-13-12(15(9-10-16)14(13)17)8-7-11-5-3-2-4-6-11/h2-8,12-13,16H,9-10H2,1H3/b8-7+/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-hydroxyethyl)-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 11831756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).