methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate

C15H17NO5 — CID 14543352

IUPACmethyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
SMILESCOC(=O)CC(=O)CC1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C15H17NO5/c1-20-15(19)9-13(17)7-12-8-14(18)16(12)21-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyCJJSBHDVKYEKGX-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.24
Rot. Bonds7

About methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate

methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate (PubChem CID 14543352) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
PubChem CID14543352
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
SMILESCOC(=O)CC(=O)CC1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C15H17NO5/c1-20-15(19)9-13(17)7-12-8-14(18)16(12)21-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyCJJSBHDVKYEKGX-UHFFFAOYSA-N
XLogP1.24
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

t-Butyl 5-(1-benzyloxy-2-oxo-4-azetidinyl)-3-oxopentanoate
CID 15748060
Tert-butyl 2,3-dioxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 15173394
4-(3-Benzyloxycarbonyl-2-oxopropyl)-azetidin-2-one
CID 12795462
benzyl 3-oxo-4-[(2R)-4-oxoazetidin-2-yl]butanoate
CID 12795463
N-(t-butyldimethylsilyl)-4-(3-benzyloxycarbonyl-2-oxopropyl)-azetidin-2-one
CID 12804720
Methyl 2-[2-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]-1,3-dioxolan-2-yl]acetate
CID 13493544
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
CID 14543351
Methyl 3-hydroxy-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
CID 14811602
Methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 14811604
butyl 3-oxo-5-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]pentanoate
CID 53928772
methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate
CID 54476151
Methyl 2-diazo-3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
CID 54539795

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate?
The IUPAC name of methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate (CID 14543352) is methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate.
What is the SMILES notation for methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate?
The canonical SMILES for methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate is COC(=O)CC(=O)CC1CC(=O)N1OCc1ccccc1.
What is the InChIKey of methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate?
The InChIKey is CJJSBHDVKYEKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-20-15(19)9-13(17)7-12-8-14(18)16(12)21-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate?
methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate has a molecular weight of 291.30 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate is sourced from PubChem (CID 14543352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).