2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid

C8H11N3O4 — CID 61021112

IUPAC2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c1-2-11(4-6(12)13)7(14)5-3-9-8(15)10-5/h3H,2,4H2,1H3,(H,12,13)(H2,9,10,15)
InChIKeyJYMXWHZHLPKMPC-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.75
Rot. Bonds4

About 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid

2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (PubChem CID 61021112) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
PubChem CID61021112
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c1-2-11(4-6(12)13)7(14)5-3-9-8(15)10-5/h3H,2,4H2,1H3,(H,12,13)(H2,9,10,15)
InChIKeyJYMXWHZHLPKMPC-UHFFFAOYSA-N
XLogP-0.75
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic 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-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (CID 61021112) is 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is JYMXWHZHLPKMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-2-11(4-6(12)13)7(14)5-3-9-8(15)10-5/h3H,2,4H2,1H3,(H,12,13)(H2,9,10,15).
What are the key properties of 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 61021112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).