(2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate

C20H20N2O6 — CID 11234477

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H20N2O6/c1-14-20(27-13-15-5-3-2-4-6-15)16(23)9-11-21(14)12-10-19(26)28-22-17(24)7-8-18(22)25/h2-6,9,11H,7-8,10,12-13H2,1H3
InChIKeyZYUJMFIQOOVKIC-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.73
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate (PubChem CID 11234477) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate
PubChem CID11234477
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H20N2O6/c1-14-20(27-13-15-5-3-2-4-6-15)16(23)9-11-21(14)12-10-19(26)28-22-17(24)7-8-18(22)25/h2-6,9,11H,7-8,10,12-13H2,1H3
InChIKeyZYUJMFIQOOVKIC-UHFFFAOYSA-N
XLogP1.73
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-Benzyloxy-1-(3'-carboxypropyl)-2-methyl-pyridin-4-one
CID 14956301
Ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
CID 139231993
3-Benzyloxy-1-(2'-carboxyethyl)-2-methylpyrid-4-one
CID 404679
(2,5-Dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
CID 10473438
3-(2-Ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
CID 10733047
3-Benzyloxy-1-(succinimidooxycarbonylmethyl)-pyrid-2-one
CID 13336728
(2,5-Dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate;hydrochloride
CID 18688773
Ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate
CID 23178725
(2,5-Dioxopyrrolidin-1-yl) 6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 57810478
(2,5-Dioxopyrrolidin-1-yl) 4-oxo-5-phenylmethoxypyran-2-carboxylate
CID 57810500
(2,5-Dioxopyrrolidin-1-yl) 4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 57810504
(2,5-Dioxopyrrolidin-1-yl) 1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 58390558

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate (CID 11234477) is (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate is Cc1c(OCc2ccccc2)c(=O)ccn1CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate?
The InChIKey is ZYUJMFIQOOVKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-14-20(27-13-15-5-3-2-4-6-15)16(23)9-11-21(14)12-10-19(26)28-22-17(24)7-8-18(22)25/h2-6,9,11H,7-8,10,12-13H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate has a molecular weight of 384.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoate is sourced from PubChem (CID 11234477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).