methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate

C14H17NO4 — CID 14486394

IUPACmethyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
SMILESCC[C@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1C(=O)OC
InChIInChI=1S/C14H17NO4/c1-4-11-12(14(17)19-3)15(13(11)16)9-5-7-10(18-2)8-6-9/h5-8,11-12H,4H2,1-3H3/t11-,12-/m1/s1
InChIKeyVWPGGFGZYVXXPS-VXGBXAGGSA-N
MW263.29 g/mol
LogP1.61
Rot. Bonds4

About methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate

methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate (PubChem CID 14486394) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
PubChem CID14486394
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
SMILESCC[C@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1C(=O)OC
InChIInChI=1S/C14H17NO4/c1-4-11-12(14(17)19-3)15(13(11)16)9-5-7-10(18-2)8-6-9/h5-8,11-12H,4H2,1-3H3/t11-,12-/m1/s1
InChIKeyVWPGGFGZYVXXPS-VXGBXAGGSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14704918
methyl (2S,3S)-3-acetyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14486426
ethyl (2R,3S)-3-benzyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 135014634
methyl (2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carboxylate
CID 100915474
tert-butyl (2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-pentylazetidine-2-carboxylate
CID 11791958
dimethyl (2S,3S)-1-(4-methoxyphenyl)aziridine-2,3-dicarboxylate
CID 15349099
ethyl (2S,3S)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 11748384
ethyl (2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-propan-2-ylazetidine-2-carboxylate
CID 11162120
2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid
CID 67698706
tert-butyl (2S,3S)-3-[(4-acetyloxyphenyl)methyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 10502489
methyl (2S,3R)-3-[(1R)-1-[dimethyl(phenyl)silyl]ethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14565633
ethyl (2S,3S)-3-butoxy-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 70322331

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate?
The IUPAC name of methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate (CID 14486394) is methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate is CC[C@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1C(=O)OC.
What is the InChIKey of methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate?
The InChIKey is VWPGGFGZYVXXPS-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-11-12(14(17)19-3)15(13(11)16)9-5-7-10(18-2)8-6-9/h5-8,11-12H,4H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate?
methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 14486394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).