2-(5-hydroxyimidazol-1-yl)acetic acid

C5H6N2O3 — CID 68719528

IUPAC2-(5-hydroxyimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cncc1O
InChIInChI=1S/C5H6N2O3/c8-4-1-6-3-7(4)2-5(9)10/h1,3,8H,2H2,(H,9,10)
InChIKeyCHCITHULEMHTHB-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.33
Rot. Bonds2

About 2-(5-hydroxyimidazol-1-yl)acetic acid

2-(5-hydroxyimidazol-1-yl)acetic acid (PubChem CID 68719528) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-(5-hydroxyimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxyimidazol-1-yl)acetic acid
PubChem CID68719528
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-(5-hydroxyimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cncc1O
InChIInChI=1S/C5H6N2O3/c8-4-1-6-3-7(4)2-5(9)10/h1,3,8H,2H2,(H,9,10)
InChIKeyCHCITHULEMHTHB-UHFFFAOYSA-N
XLogP-0.33
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxyimidazol-1-yl)acetic acid?
The IUPAC name of 2-(5-hydroxyimidazol-1-yl)acetic acid (CID 68719528) is 2-(5-hydroxyimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-hydroxyimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-hydroxyimidazol-1-yl)acetic acid is O=C(O)Cn1cncc1O.
What is the InChIKey of 2-(5-hydroxyimidazol-1-yl)acetic acid?
The InChIKey is CHCITHULEMHTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-4-1-6-3-7(4)2-5(9)10/h1,3,8H,2H2,(H,9,10).
What are the key properties of 2-(5-hydroxyimidazol-1-yl)acetic acid?
2-(5-hydroxyimidazol-1-yl)acetic acid has a molecular weight of 142.11 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxyimidazol-1-yl)acetic acid is sourced from PubChem (CID 68719528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).