2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide

C14H16N2O6 — CID 57388176

IUPAC2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C14H16N2O6/c15-13(21)10(6-17)16-12(20)4-8(14(16)22)3-7-1-2-9(18)5-11(7)19/h1-2,5,8,10,17-19H,3-4,6H2,(H2,15,21)
InChIKeyMLGKMJAIWIHJHR-UHFFFAOYSA-N
MW308.29 g/mol
LogP-1.14
Rot. Bonds5

About 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide

2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide (PubChem CID 57388176) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide
PubChem CID57388176
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C14H16N2O6/c15-13(21)10(6-17)16-12(20)4-8(14(16)22)3-7-1-2-9(18)5-11(7)19/h1-2,5,8,10,17-19H,3-4,6H2,(H2,15,21)
InChIKeyMLGKMJAIWIHJHR-UHFFFAOYSA-N
XLogP-1.14
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide?
The IUPAC name of 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide (CID 57388176) is 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide.
What is the SMILES notation for 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide?
The canonical SMILES for 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide is NC(=O)C(CO)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O.
What is the InChIKey of 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide?
The InChIKey is MLGKMJAIWIHJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c15-13(21)10(6-17)16-12(20)4-8(14(16)22)3-7-1-2-9(18)5-11(7)19/h1-2,5,8,10,17-19H,3-4,6H2,(H2,15,21).
What are the key properties of 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide?
2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide has a molecular weight of 308.29 g/mol, XLogP of -1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide is sourced from PubChem (CID 57388176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).