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

C13H13NO6 — CID 2647994

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(OCC(=O)N1CCCC1=O)c1ccc(O)cc1O
InChIInChI=1S/C13H13NO6/c15-8-3-4-9(10(16)6-8)13(19)20-7-12(18)14-5-1-2-11(14)17/h3-4,6,15-16H,1-2,5,7H2
InChIKeyNMYBZJMVAZBIAD-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.40
Rot. Bonds3

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate (PubChem CID 2647994) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
PubChem CID2647994
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(OCC(=O)N1CCCC1=O)c1ccc(O)cc1O
InChIInChI=1S/C13H13NO6/c15-8-3-4-9(10(16)6-8)13(19)20-7-12(18)14-5-1-2-11(14)17/h3-4,6,15-16H,1-2,5,7H2
InChIKeyNMYBZJMVAZBIAD-UHFFFAOYSA-N
XLogP0.40
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]benzoic acid
CID 6497235
(2-Morpholin-4-yl-2-oxoethyl) 4-hydroxybenzoate
CID 2432955
Ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 2457356
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate
CID 2474678
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-hydroxy-3-methylbenzoate
CID 2631392
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 4607377
2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl 2,4-dihydroxybenzoate
CID 4845736
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 4885444
2-(Diethylamino)-2-oxoethyl 4-hydroxybenzoate
CID 2299102
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
CID 2646335
2-[2-(2-Oxo-pyrrolidin-1-yl)-ethoxy]-benzoic acid
CID 6485816

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate (CID 2647994) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate is O=C(OCC(=O)N1CCCC1=O)c1ccc(O)cc1O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate?
The InChIKey is NMYBZJMVAZBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c15-8-3-4-9(10(16)6-8)13(19)20-7-12(18)14-5-1-2-11(14)17/h3-4,6,15-16H,1-2,5,7H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate has a molecular weight of 279.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2647994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).