2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate

C7H8N3O4- — CID 57366889

IUPAC2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate
SMILESCC(C(=O)[O-])c1[nH]c(=O)[nH]c1C(N)=O
InChIInChI=1S/C7H9N3O4/c1-2(6(12)13)3-4(5(8)11)10-7(14)9-3/h2H,1H3,(H2,8,11)(H,12,13)(H2,9,10,14)/p-1
InChIKeyAHGLPKNJKSDNOJ-UHFFFAOYSA-M
MW198.16 g/mol
LogP-2.34
Rot. Bonds3

About 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate

2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate (PubChem CID 57366889) has the molecular formula C7H8N3O4- and a molecular weight of 198.16 g/mol. Its IUPAC name is 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate.

Molecular Properties

Compound Name2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate
PubChem CID57366889
Molecular FormulaC7H8N3O4-
Molecular Weight198.16 g/mol
Exact Mass198.05
IUPAC Name2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate
SMILESCC(C(=O)[O-])c1[nH]c(=O)[nH]c1C(N)=O
InChIInChI=1S/C7H9N3O4/c1-2(6(12)13)3-4(5(8)11)10-7(14)9-3/h2H,1H3,(H2,8,11)(H,12,13)(H2,9,10,14)/p-1
InChIKeyAHGLPKNJKSDNOJ-UHFFFAOYSA-M
XLogP-2.34
TPSA131.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate 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-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The IUPAC name of 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate (CID 57366889) is 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate.
What is the SMILES notation for 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The canonical SMILES for 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate is CC(C(=O)[O-])c1[nH]c(=O)[nH]c1C(N)=O.
What is the InChIKey of 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The InChIKey is AHGLPKNJKSDNOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N3O4/c1-2(6(12)13)3-4(5(8)11)10-7(14)9-3/h2H,1H3,(H2,8,11)(H,12,13)(H2,9,10,14)/p-1.
What are the key properties of 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate has a molecular weight of 198.16 g/mol, XLogP of -2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate is sourced from PubChem (CID 57366889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).