2-(ethylcarbamoylamino)-2-oxoacetic acid

C5H8N2O4 — CID 3064870

IUPAC2-(ethylcarbamoylamino)-2-oxoacetic acid
SMILESCCNC(=O)NC(=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c1-2-6-5(11)7-3(8)4(9)10/h2H2,1H3,(H,9,10)(H2,6,7,8,11)
InChIKeyLIPYGGZRJRZBSL-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.08
Rot. Bonds1

About 2-(ethylcarbamoylamino)-2-oxoacetic acid

2-(ethylcarbamoylamino)-2-oxoacetic acid (PubChem CID 3064870) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-2-oxoacetic acid
PubChem CID3064870
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name2-(ethylcarbamoylamino)-2-oxoacetic acid
SMILESCCNC(=O)NC(=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c1-2-6-5(11)7-3(8)4(9)10/h2H2,1H3,(H,9,10)(H2,6,7,8,11)
InChIKeyLIPYGGZRJRZBSL-UHFFFAOYSA-N
XLogP-1.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylcarbamoylamino)-2-oxoacetic 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-(ethylcarbamoylamino)-2-oxoacetic acid?
The IUPAC name of 2-(ethylcarbamoylamino)-2-oxoacetic acid (CID 3064870) is 2-(ethylcarbamoylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)-2-oxoacetic acid is CCNC(=O)NC(=O)C(=O)O.
What is the InChIKey of 2-(ethylcarbamoylamino)-2-oxoacetic acid?
The InChIKey is LIPYGGZRJRZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c1-2-6-5(11)7-3(8)4(9)10/h2H2,1H3,(H,9,10)(H2,6,7,8,11).
What are the key properties of 2-(ethylcarbamoylamino)-2-oxoacetic acid?
2-(ethylcarbamoylamino)-2-oxoacetic acid has a molecular weight of 160.13 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-2-oxoacetic acid is sourced from PubChem (CID 3064870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).