methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate

C14H17NO4 — CID 112786434

IUPACmethyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
SMILESCOC(=O)c1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H17NO4/c1-18-14(17)11-5-4-6-12(9-11)19-10-13(16)15-7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyREYCGMLUIRXLBO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.47
Rot. Bonds4

About methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate

methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate (PubChem CID 112786434) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
PubChem CID112786434
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
SMILESCOC(=O)c1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H17NO4/c1-18-14(17)11-5-4-6-12(9-11)19-10-13(16)15-7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyREYCGMLUIRXLBO-UHFFFAOYSA-N
XLogP1.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 112786430
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
methyl 3-[2-oxo-2-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethoxy]benzoate
CID 164556787
3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 146084564
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
methyl 3-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]benzoate
CID 55326037
methyl 3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 43380297
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714
methyl 3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethoxy]benzoate
CID 55399239
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate?
The IUPAC name of methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate (CID 112786434) is methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate.
What is the SMILES notation for methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate?
The canonical SMILES for methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate is COC(=O)c1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate?
The InChIKey is REYCGMLUIRXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-14(17)11-5-4-6-12(9-11)19-10-13(16)15-7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3.
What are the key properties of methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate?
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate has a molecular weight of 263.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate is sourced from PubChem (CID 112786434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).