3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid

C7H10N2O4 — CID 13085943

IUPAC3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c10-5-1-3-9(7(13)8-5)4-2-6(11)12/h1-4H2,(H,11,12)(H,8,10,13)
InChIKeyGTULSKDBZDNBNE-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.60
Rot. Bonds3

About 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid

3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid (PubChem CID 13085943) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
PubChem CID13085943
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c10-5-1-3-9(7(13)8-5)4-2-6(11)12/h1-4H2,(H,11,12)(H,8,10,13)
InChIKeyGTULSKDBZDNBNE-UHFFFAOYSA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dioxo-1,3-diazinan-1-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 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid?
The IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid (CID 13085943) is 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid is O=C(O)CCN1CCC(=O)NC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid?
The InChIKey is GTULSKDBZDNBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-5-1-3-9(7(13)8-5)4-2-6(11)12/h1-4H2,(H,11,12)(H,8,10,13).
What are the key properties of 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid?
3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid is sourced from PubChem (CID 13085943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).