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

C8H11N3O5 — CID 43211009

IUPAC3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H11N3O5/c1-3(12)5(7(14)15)11-6(13)4-2-9-8(16)10-4/h2-3,5,12H,1H3,(H,11,13)(H,14,15)(H2,9,10,16)
InChIKeyZCYPFODUJXHQLM-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.73
Rot. Bonds4

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

3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (PubChem CID 43211009) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
PubChem CID43211009
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H11N3O5/c1-3(12)5(7(14)15)11-6(13)4-2-9-8(16)10-4/h2-3,5,12H,1H3,(H,11,13)(H,14,15)(H2,9,10,16)
InChIKeyZCYPFODUJXHQLM-UHFFFAOYSA-N
XLogP-1.73
TPSA135.28 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)-3-hydroxybutanoic acid
CID 44413658
(2S,3R)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)-3-hydroxybutanoic acid
CID 44413693
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid
CID 24696674
(2S,3R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid
CID 28186145
(2S,3R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789024
(2S,3R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789139
(2R)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789341
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789343
(2R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 28790412
(2S)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 28790414
3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43210994
3-Methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43211043

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (CID 43211009) is 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The InChIKey is ZCYPFODUJXHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c1-3(12)5(7(14)15)11-6(13)4-2-9-8(16)10-4/h2-3,5,12H,1H3,(H,11,13)(H,14,15)(H2,9,10,16).
What are the key properties of 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid has a molecular weight of 229.19 g/mol, XLogP of -1.73, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43211009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).