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

C11H9NO4 — CID 155713089

IUPAC[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate
SMILESO=C1C[C@@H](OC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C11H9NO4/c13-9-6-8(10(14)12-9)16-11(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13,14)/t8-/m1/s1
InChIKeyCPQJLXRWJZSTGP-MRVPVSSYSA-N
MW219.20 g/mol
LogP0.26
Rot. Bonds2

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

[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate (PubChem CID 155713089) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate.

Molecular Properties

Compound Name[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate
PubChem CID155713089
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate
SMILESO=C1C[C@@H](OC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C11H9NO4/c13-9-6-8(10(14)12-9)16-11(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13,14)/t8-/m1/s1
InChIKeyCPQJLXRWJZSTGP-MRVPVSSYSA-N
XLogP0.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxymethyl benzoate
CID 67199404
1-O-(2,5-dioxopyrrolidin-3-yl) 4-O-phenyl (E)-but-2-enedioate
CID 122480500
(2,5-dioxopyrrolidin-3-yl) (2S)-2-amino-3-phenylpropanoate
CID 67794422
3-benzoylpyrrolidine-2,5-dione
CID 15178182
(3-oxo-1,2-dihydroinden-2-yl) benzoate
CID 76516726
[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
CID 163747138
(2-bromophenyl)methyl [(3S)-2,5-dioxopyrrolidin-3-yl] carbonate
CID 124680670
4-(2,5-dioxopyrrolidin-3-yl)oxy-4-oxobutanoic acid
CID 70525741
[(1S,4R)-4-benzoyloxycyclohex-2-en-1-yl] benzoate
CID 10990891
methyl (2S,4S)-4-benzoyloxy-5-oxopyrrolidine-2-carboxylate
CID 10611558
(4-benzoyloxycyclohex-2-en-1-yl) benzoate;methane
CID 161382520
[(3S)-4-methylidenepyrrolidin-3-yl] benzoate
CID 139325279

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate?
The IUPAC name of [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate (CID 155713089) is [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate.
What is the SMILES notation for [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate?
The canonical SMILES for [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate is O=C1C[C@@H](OC(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate?
The InChIKey is CPQJLXRWJZSTGP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-6-8(10(14)12-9)16-11(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13,14)/t8-/m1/s1.
What are the key properties of [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate?
[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate has a molecular weight of 219.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,5-dioxopyrrolidin-3-yl] benzoate is sourced from PubChem (CID 155713089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).