methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate

C16H19NO5 — CID 14811604

IUPACmethyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
SMILESCOC(=O)CC(=O)CCC1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C16H19NO5/c1-21-16(20)10-14(18)8-7-13-9-15(19)17(13)22-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyLVTGEJSBORLUKU-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.63
Rot. Bonds8

About methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate

methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate (PubChem CID 14811604) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
PubChem CID14811604
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Namemethyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
SMILESCOC(=O)CC(=O)CCC1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C16H19NO5/c1-21-16(20)10-14(18)8-7-13-9-15(19)17(13)22-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyLVTGEJSBORLUKU-UHFFFAOYSA-N
XLogP1.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2,3-dioxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 15173394
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
CID 69338065
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
methyl 3-oxo-6-phenylhexanoate
CID 12701554
methyl 3-oxo-4-phenylmethoxybutanoate
CID 12768799
(2S)-7-methoxy-5,7-dioxo-2-(phenylmethoxycarbonylamino)heptanoic acid
CID 67830750
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988526
methyl 5-benzylsulfanyl-3-oxopentanoate
CID 54449013
methyl 2-(4-oxo-1-phenylmethoxyazet-2-yl)acetate
CID 54559947
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate?
The IUPAC name of methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate (CID 14811604) is methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate.
What is the SMILES notation for methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate?
The canonical SMILES for methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate is COC(=O)CC(=O)CCC1CC(=O)N1OCc1ccccc1.
What is the InChIKey of methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate?
The InChIKey is LVTGEJSBORLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-21-16(20)10-14(18)8-7-13-9-15(19)17(13)22-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate?
methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate has a molecular weight of 305.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate is sourced from PubChem (CID 14811604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).