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

C20H21NO2 — CID 15298189

IUPAC(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N(Cc2ccccc2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(22)19-18(13-12-16-8-4-2-5-9-16)21(20(19)23)14-17-10-6-3-7-11-17/h2-13,15,18-19,22H,14H2,1H3/b13-12+/t15-,18-,19+/m0/s1
InChIKeyKXADUGXXWLWTIX-UWBFTQSISA-N
MW307.39 g/mol
LogP3.11
Rot. Bonds5

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

(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 15298189) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID15298189
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N(Cc2ccccc2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(22)19-18(13-12-16-8-4-2-5-9-16)21(20(19)23)14-17-10-6-3-7-11-17/h2-13,15,18-19,22H,14H2,1H3/b13-12+/t15-,18-,19+/m0/s1
InChIKeyKXADUGXXWLWTIX-UWBFTQSISA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 15298189) is (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one is C[C@H](O)[C@H]1C(=O)N(Cc2ccccc2)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is KXADUGXXWLWTIX-UWBFTQSISA-N. The full InChI is InChI=1S/C20H21NO2/c1-15(22)19-18(13-12-16-8-4-2-5-9-16)21(20(19)23)14-17-10-6-3-7-11-17/h2-13,15,18-19,22H,14H2,1H3/b13-12+/t15-,18-,19+/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 15298189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).