[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate

C18H17NO4 — CID 10903010

IUPAC[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate
SMILESCOc1ccccc1[C@@H]1[C@H](OC(C)=O)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17NO4/c1-12(20)23-17-16(14-10-6-7-11-15(14)22-2)19(18(17)21)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3/t16-,17+/m1/s1
InChIKeyIOQVAZZGGDUAHO-SJORKVTESA-N
MW311.34 g/mol
LogP2.71
Rot. Bonds4

About [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate

[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate (PubChem CID 10903010) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate
PubChem CID10903010
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate
SMILESCOc1ccccc1[C@@H]1[C@H](OC(C)=O)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17NO4/c1-12(20)23-17-16(14-10-6-7-11-15(14)22-2)19(18(17)21)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3/t16-,17+/m1/s1
InChIKeyIOQVAZZGGDUAHO-SJORKVTESA-N
XLogP2.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
CID 1314163
ethyl 4-[(2S,3S)-3-(4-chloro-2-methylphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
CID 1046342
[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
CID 69138960
4-[(2S,3S)-3-acetyloxy-2-(4-bromophenyl)-4-oxoazetidin-1-yl]benzoic acid
CID 10787379
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
1-[4-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 19630071
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108614301
(3S,3aS,6aR)-3-(2-methoxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 40627406
(3S,3aS,6aS)-3-(2-methoxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7182392
2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82303598
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
(2R,6R,7S)-7-(2-methoxyphenyl)-4-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 98347182

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate?
The IUPAC name of [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate (CID 10903010) is [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate?
The canonical SMILES for [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate is COc1ccccc1[C@@H]1[C@H](OC(C)=O)C(=O)N1c1ccccc1.
What is the InChIKey of [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate?
The InChIKey is IOQVAZZGGDUAHO-SJORKVTESA-N. The full InChI is InChI=1S/C18H17NO4/c1-12(20)23-17-16(14-10-6-7-11-15(14)22-2)19(18(17)21)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3/t16-,17+/m1/s1.
What are the key properties of [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate?
[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate has a molecular weight of 311.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate is sourced from PubChem (CID 10903010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).