2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid

C8H11N3O4 — CID 107409501

IUPAC2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-8(5(12)13,4-2-3-4)11-6(14)9-10-7(11)15/h4H,2-3H2,1H3,(H,9,14)(H,10,15)(H,12,13)
InChIKeyXSSIOGNWBOSUFB-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.93
Rot. Bonds3

About 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid

2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid (PubChem CID 107409501) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
PubChem CID107409501
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-8(5(12)13,4-2-3-4)11-6(14)9-10-7(11)15/h4H,2-3H2,1H3,(H,9,14)(H,10,15)(H,12,13)
InChIKeyXSSIOGNWBOSUFB-UHFFFAOYSA-N
XLogP-0.93
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid 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-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid (CID 107409501) is 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid is CC(C(=O)O)(C1CC1)n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid?
The InChIKey is XSSIOGNWBOSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-8(5(12)13,4-2-3-4)11-6(14)9-10-7(11)15/h4H,2-3H2,1H3,(H,9,14)(H,10,15)(H,12,13).
What are the key properties of 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid?
2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid is sourced from PubChem (CID 107409501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).