2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate

C17H23NO3 — CID 2375129

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)OCCN2CCCC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)14-8-6-13(7-9-14)16(20)21-12-11-18-10-4-5-15(18)19/h6-9H,4-5,10-12H2,1-3H3
InChIKeyIFVIWZWXVAJSPM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate

2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate (PubChem CID 2375129) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
PubChem CID2375129
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)OCCN2CCCC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)14-8-6-13(7-9-14)16(20)21-12-11-18-10-4-5-15(18)19/h6-9H,4-5,10-12H2,1-3H3
InChIKeyIFVIWZWXVAJSPM-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate
CID 71988091
2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
CID 2420777
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55528962
2-(2-oxopyrrolidin-1-yl)ethyl 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2374919
2-(2-oxopyrrolidin-1-yl)ethyl 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2374915
4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide
CID 112763209
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate (CID 2375129) is 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate is CC(C)(C)c1ccc(C(=O)OCCN2CCCC2=O)cc1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate?
The InChIKey is IFVIWZWXVAJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)14-8-6-13(7-9-14)16(20)21-12-11-18-10-4-5-15(18)19/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate?
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate has a molecular weight of 289.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate is sourced from PubChem (CID 2375129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).