1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione

C11H12N2O4 — CID 57388213

IUPAC1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESNN1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C11H12N2O4/c12-13-10(16)4-7(11(13)17)3-6-1-2-8(14)5-9(6)15/h1-2,5,7,14-15H,3-4,12H2
InChIKeyPJOZNOIYAVHMLO-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.11
Rot. Bonds2

About 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione

1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 57388213) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID57388213
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESNN1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C11H12N2O4/c12-13-10(16)4-7(11(13)17)3-6-1-2-8(14)5-9(6)15/h1-2,5,7,14-15H,3-4,12H2
InChIKeyPJOZNOIYAVHMLO-UHFFFAOYSA-N
XLogP-0.11
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione (CID 57388213) is 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione is NN1C(=O)CC(Cc2ccc(O)cc2O)C1=O.
What is the InChIKey of 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is PJOZNOIYAVHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-13-10(16)4-7(11(13)17)3-6-1-2-8(14)5-9(6)15/h1-2,5,7,14-15H,3-4,12H2.
What are the key properties of 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione?
1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 236.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 57388213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).