2-(2-methylimidazol-1-yl)acetic acid

C6H8N2O2 — CID 650088

IUPAC2-(2-methylimidazol-1-yl)acetic acid
SMILESCc1nccn1CC(=O)O
InChIInChI=1S/C6H8N2O2/c1-5-7-2-3-8(5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChIKeyDKLNXONACKSAQI-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.28
Rot. Bonds2

About 2-(2-methylimidazol-1-yl)acetic acid

2-(2-methylimidazol-1-yl)acetic acid (PubChem CID 650088) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)acetic acid
PubChem CID650088
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(2-methylimidazol-1-yl)acetic acid
SMILESCc1nccn1CC(=O)O
InChIInChI=1S/C6H8N2O2/c1-5-7-2-3-8(5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChIKeyDKLNXONACKSAQI-UHFFFAOYSA-N
XLogP0.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3798501
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-methylimidazol-1-yl)acetic acid (CID 650088) is 2-(2-methylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-methylimidazol-1-yl)acetic acid is Cc1nccn1CC(=O)O.
What is the InChIKey of 2-(2-methylimidazol-1-yl)acetic acid?
The InChIKey is DKLNXONACKSAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-7-2-3-8(5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of 2-(2-methylimidazol-1-yl)acetic acid?
2-(2-methylimidazol-1-yl)acetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)acetic acid is sourced from PubChem (CID 650088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).