(2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate

C16H19NO5 — CID 19102962

IUPAC(2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate
SMILESCCOc1ccc(C(CC)C(=O)OC2CC(=O)NC2=O)cc1
InChIInChI=1S/C16H19NO5/c1-3-12(10-5-7-11(8-6-10)21-4-2)16(20)22-13-9-14(18)17-15(13)19/h5-8,12-13H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyJQQSUIMQWAJFJX-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.54
Rot. Bonds6

About (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate

(2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate (PubChem CID 19102962) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate
PubChem CID19102962
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate
SMILESCCOc1ccc(C(CC)C(=O)OC2CC(=O)NC2=O)cc1
InChIInChI=1S/C16H19NO5/c1-3-12(10-5-7-11(8-6-10)21-4-2)16(20)22-13-9-14(18)17-15(13)19/h5-8,12-13H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyJQQSUIMQWAJFJX-UHFFFAOYSA-N
XLogP1.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate
CID 19102955
(2,5-dioxopyrrolidin-3-yl) (2S)-2-amino-3-phenylpropanoate
CID 67794422
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
[(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 22876191
(2,6-dibromophenyl) 10-[1-(2,5-dioxopyrrolidin-3-yl)oxy-1-oxobutan-2-yl]acridin-10-ium-9-carboxylate
CID 87659372
[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 155713089
3-(4-ethoxyphenyl)-4-methylpentanamide
CID 112508295
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
3-(4-methylphenoxy)pyrrolidine-2,5-dione
CID 20648098
4-amino-1-(4-ethoxybenzoyl)pyrrolidin-2-one
CID 112534737

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate (CID 19102962) is (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate is CCOc1ccc(C(CC)C(=O)OC2CC(=O)NC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate?
The InChIKey is JQQSUIMQWAJFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-3-12(10-5-7-11(8-6-10)21-4-2)16(20)22-13-9-14(18)17-15(13)19/h5-8,12-13H,3-4,9H2,1-2H3,(H,17,18,19).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate?
(2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate has a molecular weight of 305.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate is sourced from PubChem (CID 19102962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).