1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid

C12H13NO6 — CID 175172730

IUPAC1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
SMILESO=C(O)COc1ccccc1.O=C1CCC(=O)N1O
InChIInChI=1S/C8H8O3.C4H5NO3/c9-8(10)6-11-7-4-2-1-3-5-7;6-3-1-2-4(7)5(3)8/h1-5H,6H2,(H,9,10);8H,1-2H2
InChIKeyAYUKRPKEWAJNTO-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.67
Rot. Bonds3

About 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid

1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid (PubChem CID 175172730) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
PubChem CID175172730
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
SMILESO=C(O)COc1ccccc1.O=C1CCC(=O)N1O
InChIInChI=1S/C8H8O3.C4H5NO3/c9-8(10)6-11-7-4-2-1-3-5-7;6-3-1-2-4(7)5(3)8/h1-5H,6H2,(H,9,10);8H,1-2H2
InChIKeyAYUKRPKEWAJNTO-UHFFFAOYSA-N
XLogP0.67
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
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

2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-phenoxyacetic acid;piperazine
CID 54610102
2-phenoxyacetic acid;phenyl acetate
CID 160680696
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
2-oxo-3-phenoxypropanoic acid
CID 18994126
2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid
CID 63770817
2-[2-(2,7-dioxoazepan-1-yl)phenoxy]acetic acid
CID 63746035

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid (CID 175172730) is 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid is O=C(O)COc1ccccc1.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid?
The InChIKey is AYUKRPKEWAJNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H5NO3/c9-8(10)6-11-7-4-2-1-3-5-7;6-3-1-2-4(7)5(3)8/h1-5H,6H2,(H,9,10);8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid?
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid has a molecular weight of 267.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid is sourced from PubChem (CID 175172730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).