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

C8H10N4O5 — CID 43211166

IUPAC4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESNC(=O)CC(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H10N4O5/c9-5(13)1-3(7(15)16)11-6(14)4-2-10-8(17)12-4/h2-3H,1H2,(H2,9,13)(H,11,14)(H,15,16)(H2,10,12,17)
InChIKeyRXAPNRRGVVWXCO-UHFFFAOYSA-N
MW242.19 g/mol
LogP-2.24
Rot. Bonds5

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

4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (PubChem CID 43211166) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
PubChem CID43211166
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESNC(=O)CC(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H10N4O5/c9-5(13)1-3(7(15)16)11-6(14)4-2-10-8(17)12-4/h2-3H,1H2,(H2,9,13)(H,11,14)(H,15,16)(H2,10,12,17)
InChIKeyRXAPNRRGVVWXCO-UHFFFAOYSA-N
XLogP-2.24
TPSA158.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (CID 43211166) is 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is NC(=O)CC(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The InChIKey is RXAPNRRGVVWXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5/c9-5(13)1-3(7(15)16)11-6(14)4-2-10-8(17)12-4/h2-3H,1H2,(H2,9,13)(H,11,14)(H,15,16)(H2,10,12,17).
What are the key properties of 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid has a molecular weight of 242.19 g/mol, XLogP of -2.24, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43211166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).