methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate

C23H25NO4 — CID 102264161

IUPACmethyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate
SMILESCOC(=O)CCC[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C23H25NO4/c1-27-19-14-12-18(13-15-19)24-21(16-11-17-7-4-3-5-8-17)20(23(24)26)9-6-10-22(25)28-2/h3-5,7-8,11-16,20-21H,6,9-10H2,1-2H3/b16-11+/t20-,21+/m0/s1
InChIKeyYKZSNRYJPFIRAC-DJRZKHRSSA-N
MW379.46 g/mol
LogP4.08
Rot. Bonds8

About methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate

methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate (PubChem CID 102264161) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate
PubChem CID102264161
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namemethyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate
SMILESCOC(=O)CCC[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C23H25NO4/c1-27-19-14-12-18(13-15-19)24-21(16-11-17-7-4-3-5-8-17)20(23(24)26)9-6-10-22(25)28-2/h3-5,7-8,11-16,20-21H,6,9-10H2,1-2H3/b16-11+/t20-,21+/m0/s1
InChIKeyYKZSNRYJPFIRAC-DJRZKHRSSA-N
XLogP4.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate with MolForge

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Related Compounds

(3S,4R)-3-butyl-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 101007675
3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029
(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one
CID 18598712
methyl (E)-3-[[(3R,4S)-2-oxo-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-3-yl]amino]but-2-enoate
CID 70574548
methyl (E)-3-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynylazetidin-2-yl]prop-2-enoate
CID 10590255
methyl (E)-5-[4-[(2S,3R)-3-ethenyl-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]phenyl]pent-4-enoate
CID 101492332
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
methyl 2-[(3S,4R)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
CID 101189032
(3S,4R)-3-[[(1S,3R,4R,6R)-4-bromo-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]oxy]-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 15536182
(3R)-4-[(1E)-buta-1,3-dienyl]-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 100932719
N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide
CID 13478581
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate?
The IUPAC name of methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate (CID 102264161) is methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate.
What is the SMILES notation for methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate?
The canonical SMILES for methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate is COC(=O)CCC[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate?
The InChIKey is YKZSNRYJPFIRAC-DJRZKHRSSA-N. The full InChI is InChI=1S/C23H25NO4/c1-27-19-14-12-18(13-15-19)24-21(16-11-17-7-4-3-5-8-17)20(23(24)26)9-6-10-22(25)28-2/h3-5,7-8,11-16,20-21H,6,9-10H2,1-2H3/b16-11+/t20-,21+/m0/s1.
What are the key properties of methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate?
methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate has a molecular weight of 379.46 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate is sourced from PubChem (CID 102264161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).