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

C7H9N3O4 — CID 57366890

IUPAC2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
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)
InChIKeyAHGLPKNJKSDNOJ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.01
Rot. Bonds3

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

2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid (PubChem CID 57366890) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
PubChem CID57366890
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
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)
InChIKeyAHGLPKNJKSDNOJ-UHFFFAOYSA-N
XLogP-1.01
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)acetate
CID 234603
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 70284120
2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 83482974
2-(5-Carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoate
CID 57366889

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid?
The IUPAC name of 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid (CID 57366890) is 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid?
The canonical SMILES for 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid 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)propanoic acid?
The InChIKey is AHGLPKNJKSDNOJ-UHFFFAOYSA-N. 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).
What are the key properties of 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid?
2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid is sourced from PubChem (CID 57366890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).