2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

C5H7N3O5 — CID 1209

IUPAC2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
SMILESNC(Cn1oc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)
InChIKeyASNFTDCKZKHJSW-UHFFFAOYSA-N
MW189.13 g/mol
LogP-2.46
Rot. Bonds3

About 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid (PubChem CID 1209) has the molecular formula C5H7N3O5 and a molecular weight of 189.13 g/mol. Its IUPAC name is 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
PubChem CID1209
Molecular FormulaC5H7N3O5
Molecular Weight189.13 g/mol
Exact Mass189.04
IUPAC Name2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
SMILESNC(Cn1oc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)
InChIKeyASNFTDCKZKHJSW-UHFFFAOYSA-N
XLogP-2.46
TPSA131.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 5-2.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-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-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid (CID 1209) is 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid is NC(Cn1oc(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid?
The InChIKey is ASNFTDCKZKHJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12).
What are the key properties of 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid?
2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid has a molecular weight of 189.13 g/mol, XLogP of -2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid is sourced from PubChem (CID 1209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).