3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid

C8H13N3O4 — CID 71005819

IUPAC3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid
SMILESO=C(O)CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C8H13N3O4/c12-6(5-7(13)14)9-1-3-11-4-2-10-8(11)15/h1-5H2,(H,9,12)(H,10,15)(H,13,14)
InChIKeyXVUVDVPUEXVVGI-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.40
Rot. Bonds5

About 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid

3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid (PubChem CID 71005819) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid
PubChem CID71005819
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid
SMILESO=C(O)CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C8H13N3O4/c12-6(5-7(13)14)9-1-3-11-4-2-10-8(11)15/h1-5H2,(H,9,12)(H,10,15)(H,13,14)
InChIKeyXVUVDVPUEXVVGI-UHFFFAOYSA-N
XLogP-1.40
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
The IUPAC name of 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid (CID 71005819) is 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid is O=C(O)CC(=O)NCCN1CCNC1=O.
What is the InChIKey of 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
The InChIKey is XVUVDVPUEXVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-6(5-7(13)14)9-1-3-11-4-2-10-8(11)15/h1-5H2,(H,9,12)(H,10,15)(H,13,14).
What are the key properties of 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid has a molecular weight of 215.21 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid is sourced from PubChem (CID 71005819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).