methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate

C17H15NO4 — CID 102070722

IUPACmethyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
SMILESCOC(=O)C1(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO4/c1-22-16(20)17(21)14(12-8-4-2-5-9-12)18(15(17)19)13-10-6-3-7-11-13/h2-11,14,21H,1H3
InChIKeyAWOBZGATKWZHHC-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.68
Rot. Bonds3

About methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate

methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate (PubChem CID 102070722) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
PubChem CID102070722
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
SMILESCOC(=O)C1(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO4/c1-22-16(20)17(21)14(12-8-4-2-5-9-12)18(15(17)19)13-10-6-3-7-11-13/h2-11,14,21H,1H3
InChIKeyAWOBZGATKWZHHC-UHFFFAOYSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-oxo-1,4-diphenyl-3-(1,2,2-trichloroethenyl)azetidine-3-carboxylate
CID 134919381
methyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 57225843
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
tert-butyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 602670
N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
CID 11003531
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
ethyl (2S,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868335
ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868336
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
(4S)-4-(2-hydroxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
CID 714178
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
CID 101377404

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate?
The IUPAC name of methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate (CID 102070722) is methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate?
The canonical SMILES for methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate is COC(=O)C1(O)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate?
The InChIKey is AWOBZGATKWZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-16(20)17(21)14(12-8-4-2-5-9-12)18(15(17)19)13-10-6-3-7-11-13/h2-11,14,21H,1H3.
What are the key properties of methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate?
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate is sourced from PubChem (CID 102070722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).