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

C7H9N3O4 — CID 28790008

IUPAC2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-10(3-5(11)12)6(13)4-2-8-7(14)9-4/h2H,3H2,1H3,(H,11,12)(H2,8,9,14)
InChIKeyYPGVUTARNZAAHH-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.14
Rot. Bonds3

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

2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (PubChem CID 28790008) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
PubChem CID28790008
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-10(3-5(11)12)6(13)4-2-8-7(14)9-4/h2H,3H2,1H3,(H,11,12)(H2,8,9,14)
InChIKeyYPGVUTARNZAAHH-UHFFFAOYSA-N
XLogP-1.14
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (CID 28790008) is 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is YPGVUTARNZAAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-10(3-5(11)12)6(13)4-2-8-7(14)9-4/h2H,3H2,1H3,(H,11,12)(H2,8,9,14).
What are the key properties of 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 28790008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).