[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate

C15H16N2O5 — CID 4885358

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C15H16N2O5/c1-10(18)16-12-6-4-11(5-7-12)15(21)22-9-14(20)17-8-2-3-13(17)19/h4-7H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyKQLNBJGWNSYYJM-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.95
Rot. Bonds4

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate (PubChem CID 4885358) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate
PubChem CID4885358
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C15H16N2O5/c1-10(18)16-12-6-4-11(5-7-12)15(21)22-9-14(20)17-8-2-3-13(17)19/h4-7H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyKQLNBJGWNSYYJM-UHFFFAOYSA-N
XLogP0.95
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
CID 7890817
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate
CID 2628809
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557461
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 27310684
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 2630465
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 42900565
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988475
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920586
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 42969112
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate (CID 4885358) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate?
The InChIKey is KQLNBJGWNSYYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-10(18)16-12-6-4-11(5-7-12)15(21)22-9-14(20)17-8-2-3-13(17)19/h4-7H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate has a molecular weight of 304.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate is sourced from PubChem (CID 4885358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).