[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate

C11H9NO5 — CID 163747138

IUPAC[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
SMILESO=C(O[C@@H]1CC(=O)N(O)C1=O)c1ccccc1
InChIInChI=1S/C11H9NO5/c13-9-6-8(10(14)12(9)16)17-11(15)7-4-2-1-3-5-7/h1-5,8,16H,6H2/t8-/m1/s1
InChIKeyLMVKTTQOOPBRIW-MRVPVSSYSA-N
MW235.20 g/mol
LogP0.36
Rot. Bonds2

About [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate

[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate (PubChem CID 163747138) has the molecular formula C11H9NO5 and a molecular weight of 235.20 g/mol. Its IUPAC name is [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate.

Molecular Properties

Compound Name[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
PubChem CID163747138
Molecular FormulaC11H9NO5
Molecular Weight235.20 g/mol
Exact Mass235.05
IUPAC Name[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
SMILESO=C(O[C@@H]1CC(=O)N(O)C1=O)c1ccccc1
InChIInChI=1S/C11H9NO5/c13-9-6-8(10(14)12(9)16)17-11(15)7-4-2-1-3-5-7/h1-5,8,16H,6H2/t8-/m1/s1
InChIKeyLMVKTTQOOPBRIW-MRVPVSSYSA-N
XLogP0.36
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(1S,2R,5R)-6-oxo-2-bicyclo[3.2.0]heptanyl] benzoate
CID 129392345
[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 155713089
(3-oxo-1,2-dihydroinden-2-yl) benzoate
CID 76516726
[1-(2-methylpropanoyloxymethoxycarbonyloxy)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 163925057
benzoyl chloride;[(3R)-2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl] benzoate;(3R)-3-hydroxy-1-(1-phenylethyl)pyrrolidine-2,5-dione
CID 163976148
[(1S,2S)-2-methyl-3-oxocyclobutyl] benzoate
CID 176887724
[(1S,7S,9aS)-7-benzoyloxy-6-oxo-1,2,3,4,7,8,9,9a-octahydroquinolizin-1-yl] benzoate
CID 10385885
(1-benzoylsulfanyl-2,5-dioxopyrrolidin-3-yl) acetate
CID 19027349
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
(2-oxocycloheptyl) benzoate
CID 12723134
[(1R,2S,3R,4S,5S,6R)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 11090365
(3-methoxy-4-methyl-2-oxocyclohex-3-en-1-yl) benzoate
CID 10264576

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate?
The IUPAC name of [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate (CID 163747138) is [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate.
What is the SMILES notation for [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate?
The canonical SMILES for [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate is O=C(O[C@@H]1CC(=O)N(O)C1=O)c1ccccc1.
What is the InChIKey of [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate?
The InChIKey is LMVKTTQOOPBRIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H9NO5/c13-9-6-8(10(14)12(9)16)17-11(15)7-4-2-1-3-5-7/h1-5,8,16H,6H2/t8-/m1/s1.
What are the key properties of [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate?
[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate has a molecular weight of 235.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate is sourced from PubChem (CID 163747138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).