(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate

C14H17NO4 — CID 2371526

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCCC2)c1O
InChIInChI=1S/C14H17NO4/c1-10-5-4-6-11(13(10)17)14(18)19-9-12(16)15-7-2-3-8-15/h4-6,17H,2-3,7-9H2,1H3
InChIKeyHXPIMJNIBRAFIF-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.48
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate (PubChem CID 2371526) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate
PubChem CID2371526
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCCC2)c1O
InChIInChI=1S/C14H17NO4/c1-10-5-4-6-11(13(10)17)14(18)19-9-12(16)15-7-2-3-8-15/h4-6,17H,2-3,7-9H2,1H3
InChIKeyHXPIMJNIBRAFIF-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21720
(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
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[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
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[2-(2-Methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2369755
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
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[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-hydroxy-3-methylbenzoate
CID 2631392
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
CID 2647994
2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl 2,4-dihydroxybenzoate
CID 4845736
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
CID 2646335
2-[2-(2-Oxo-pyrrolidin-1-yl)-ethoxy]-benzoic acid
CID 6485816
2-[(Dimethylcarbamoyl)methoxy]benzoic acid
CID 4962590

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate (CID 2371526) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CCCC2)c1O.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate?
The InChIKey is HXPIMJNIBRAFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-5-4-6-11(13(10)17)14(18)19-9-12(16)15-7-2-3-8-15/h4-6,17H,2-3,7-9H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate has a molecular weight of 263.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2371526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).