carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione

C12H12N2O6 — CID 175255540

IUPACcarbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione
SMILESNC(=O)OC(=O)c1ccccc1.O=C1CCC(=O)N1O
InChIInChI=1S/C8H7NO3.C4H5NO3/c9-8(11)12-7(10)6-4-2-1-3-5-6;6-3-1-2-4(7)5(3)8/h1-5H,(H2,9,11);8H,1-2H2
InChIKeyMEOXXRFKZGIITA-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.45
Rot. Bonds1

About carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione

carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione (PubChem CID 175255540) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Namecarbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione
PubChem CID175255540
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Namecarbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione
SMILESNC(=O)OC(=O)c1ccccc1.O=C1CCC(=O)N1O
InChIInChI=1S/C8H7NO3.C4H5NO3/c9-8(11)12-7(10)6-4-2-1-3-5-6;6-3-1-2-4(7)5(3)8/h1-5H,(H2,9,11);8H,1-2H2
InChIKeyMEOXXRFKZGIITA-UHFFFAOYSA-N
XLogP0.45
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-2-(2-oxoazetidin-1-yl)acetyl] benzoate
CID 20530942
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
CID 163747138
(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane
CID 162228108
carbamoyl 2-oxo-2-phenylacetate
CID 151490508
benzoyl benzoate;oxane-2,6-dione;oxolane-2,5-dione
CID 162105428
benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate
CID 25164499
benzoyl benzoate;methylperoxymethane
CID 88758305
CID 162308474
CID 162308474
azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
benzaldehyde;benzoyl benzoate
CID 160747482

Frequently Asked Questions

What is the IUPAC name of carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione (CID 175255540) is carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione is NC(=O)OC(=O)c1ccccc1.O=C1CCC(=O)N1O.
What is the InChIKey of carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is MEOXXRFKZGIITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3.C4H5NO3/c9-8(11)12-7(10)6-4-2-1-3-5-6;6-3-1-2-4(7)5(3)8/h1-5H,(H2,9,11);8H,1-2H2.
What are the key properties of carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione?
carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 280.24 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 175255540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).