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

C6H7N3O4 — CID 28789452

IUPAC2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H7N3O4/c10-4(11)2-7-5(12)3-1-8-6(13)9-3/h1H,2H2,(H,7,12)(H,10,11)(H2,8,9,13)
InChIKeyZYBSPZMVYPWEQT-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.48
Rot. Bonds3

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

2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (PubChem CID 28789452) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
PubChem CID28789452
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H7N3O4/c10-4(11)2-7-5(12)3-1-8-6(13)9-3/h1H,2H2,(H,7,12)(H,10,11)(H2,8,9,13)
InChIKeyZYBSPZMVYPWEQT-UHFFFAOYSA-N
XLogP-1.48
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (CID 28789452) is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is ZYBSPZMVYPWEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c10-4(11)2-7-5(12)3-1-8-6(13)9-3/h1H,2H2,(H,7,12)(H,10,11)(H2,8,9,13).
What are the key properties of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 185.14 g/mol, XLogP of -1.48, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 28789452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).