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

C9H14N2O2 — CID 55254995

IUPAC2-(2-butylimidazol-1-yl)acetic acid
SMILESCCCCc1nccn1CC(=O)O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-8-10-5-6-11(8)7-9(12)13/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyYKUYPXQTRBGPNP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds5

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

2-(2-butylimidazol-1-yl)acetic acid (PubChem CID 55254995) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-butylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-butylimidazol-1-yl)acetic acid
PubChem CID55254995
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-butylimidazol-1-yl)acetic acid
SMILESCCCCc1nccn1CC(=O)O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-8-10-5-6-11(8)7-9(12)13/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyYKUYPXQTRBGPNP-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-butylimidazol-1-yl)acetic acid (CID 55254995) is 2-(2-butylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-butylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-butylimidazol-1-yl)acetic acid is CCCCc1nccn1CC(=O)O.
What is the InChIKey of 2-(2-butylimidazol-1-yl)acetic acid?
The InChIKey is YKUYPXQTRBGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-8-10-5-6-11(8)7-9(12)13/h5-6H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 2-(2-butylimidazol-1-yl)acetic acid?
2-(2-butylimidazol-1-yl)acetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylimidazol-1-yl)acetic acid is sourced from PubChem (CID 55254995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).