methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate

C18H17NO4 — CID 20522495

IUPACmethyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1C(=O)C(O)C1c1ccccc1
InChIInChI=1S/C18H17NO4/c1-23-18(22)15(13-10-6-3-7-11-13)19-14(16(20)17(19)21)12-8-4-2-5-9-12/h2-11,14-16,20H,1H3
InChIKeyGSABWMKLYHCMHO-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.85
Rot. Bonds4

About methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate

methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate (PubChem CID 20522495) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
PubChem CID20522495
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1C(=O)C(O)C1c1ccccc1
InChIInChI=1S/C18H17NO4/c1-23-18(22)15(13-10-6-3-7-11-13)19-14(16(20)17(19)21)12-8-4-2-5-9-12/h2-11,14-16,20H,1H3
InChIKeyGSABWMKLYHCMHO-UHFFFAOYSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
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methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate
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methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
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methyl (2S)-2-[(2R)-4-oxo-2-phenyl-2,3-dihydropyridin-1-yl]-2-phenylacetate
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methyl 2-[3-azido-2-[3,4-bis(phenylmethoxy)phenyl]-4-oxoazetidin-1-yl]-2-phenylacetate
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methyl 2-[(2S)-3-ethyl-2-phenyl-2H-quinolin-1-yl]-2-phenylacetate
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4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]benzonitrile
CID 54101496
methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate
CID 20522477
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
CID 67705047
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate (CID 20522495) is methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)N1C(=O)C(O)C1c1ccccc1.
What is the InChIKey of methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
The InChIKey is GSABWMKLYHCMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-23-18(22)15(13-10-6-3-7-11-13)19-14(16(20)17(19)21)12-8-4-2-5-9-12/h2-11,14-16,20H,1H3.
What are the key properties of methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate has a molecular weight of 311.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate is sourced from PubChem (CID 20522495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).