methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate

C19H20N2O3 — CID 20522477

IUPACmethyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C(=O)C(N)C1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15(12-13-8-4-2-5-9-13)21-17(16(20)18(21)22)14-10-6-3-7-11-14/h2-11,15-17H,12,20H2,1H3
InChIKeyGKJXBOMSUIJDBY-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate

methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate (PubChem CID 20522477) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate
PubChem CID20522477
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C(=O)C(N)C1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15(12-13-8-4-2-5-9-13)21-17(16(20)18(21)22)14-10-6-3-7-11-14/h2-11,15-17H,12,20H2,1H3
InChIKeyGKJXBOMSUIJDBY-UHFFFAOYSA-N
XLogP1.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate
CID 145173321
methyl 2-[(3R,4R)-3-acetyl-2-oxo-4-prop-1-en-2-ylazetidin-1-yl]-3-phenylpropanoate
CID 15358912
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate
CID 171987739
methyl (2R)-2-(2,5-dihydropyrrol-1-yl)-3-phenylpropanoate
CID 135574815
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
2-[3-(1-methoxy-1-oxo-3-phenylpropan-2-yl)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 22736546
methyl (2S)-2-(3-acetyl-4-oxospiro[azetidine-2,9'-fluorene]-1-yl)-3-phenylpropanoate
CID 110193794
methyl 2-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate
CID 122179891
methyl (2S)-2-[(3aR,4S,6S,6aS)-4,6-diethynyl-2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-3-phenylpropanoate
CID 177385052
methyl (2S)-2-[13-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoate;bis(propan-2-one)
CID 139090030
methyl 2-[(1R,4'R,5S,7R)-3-benzyl-2,2'-dioxo-4'-phenylspiro[6,8-dioxa-3-azabicyclo[3.2.1]octane-7,3'-azetidine]-1'-yl]-3-phenylpropanoate
CID 23643105

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate?
The IUPAC name of methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate (CID 20522477) is methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate.
What is the SMILES notation for methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate?
The canonical SMILES for methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)N1C(=O)C(N)C1c1ccccc1.
What is the InChIKey of methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate?
The InChIKey is GKJXBOMSUIJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-19(23)15(12-13-8-4-2-5-9-13)21-17(16(20)18(21)22)14-10-6-3-7-11-14/h2-11,15-17H,12,20H2,1H3.
What are the key properties of methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate?
methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate has a molecular weight of 324.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 20522477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).