2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione

C12H13NO6 — CID 21399718

IUPAC2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)Cc1ccc(O)cc1.O=C1CCC(=O)N1O
InChIInChI=1S/C8H8O3.C4H5NO3/c9-7-3-1-6(2-4-7)5-8(10)11;6-3-1-2-4(7)5(3)8/h1-4,9H,5H2,(H,10,11);8H,1-2H2
InChIKeyMNNSHEFJHCPZHW-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.54
Rot. Bonds2

About 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione

2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 21399718) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID21399718
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)Cc1ccc(O)cc1.O=C1CCC(=O)N1O
InChIInChI=1S/C8H8O3.C4H5NO3/c9-7-3-1-6(2-4-7)5-8(10)11;6-3-1-2-4(7)5(3)8/h1-4,9H,5H2,(H,10,11);8H,1-2H2
InChIKeyMNNSHEFJHCPZHW-UHFFFAOYSA-N
XLogP0.54
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione (CID 21399718) is 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione is O=C(O)Cc1ccc(O)cc1.O=C1CCC(=O)N1O.
What is the InChIKey of 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is MNNSHEFJHCPZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H5NO3/c9-7-3-1-6(2-4-7)5-8(10)11;6-3-1-2-4(7)5(3)8/h1-4,9H,5H2,(H,10,11);8H,1-2H2.
What are the key properties of 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione?
2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 267.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)acetic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 21399718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).