3-(1-tert-butylimidazol-2-yl)propanoic acid

C10H16N2O2 — CID 83879918

IUPAC3-(1-tert-butylimidazol-2-yl)propanoic acid
SMILESCC(C)(C)n1ccnc1CCC(=O)O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)12-7-6-11-8(12)4-5-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyZFRNHQKGNXAYET-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.66
Rot. Bonds3

About 3-(1-tert-butylimidazol-2-yl)propanoic acid

3-(1-tert-butylimidazol-2-yl)propanoic acid (PubChem CID 83879918) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-tert-butylimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-tert-butylimidazol-2-yl)propanoic acid
PubChem CID83879918
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(1-tert-butylimidazol-2-yl)propanoic acid
SMILESCC(C)(C)n1ccnc1CCC(=O)O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)12-7-6-11-8(12)4-5-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyZFRNHQKGNXAYET-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-tert-butylimidazol-2-yl)methanamine
CID 55268001
2-[(1-tert-butylimidazol-2-yl)amino]acetic acid
CID 115021038
3-[1-(2,6-dimethylphenyl)imidazol-2-yl]propanoic acid
CID 82294272
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
CID 62939430
1-chloro-1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529640
3-(4-tert-butyl-3-oxopyrazin-2-yl)sulfanylbutanoic acid
CID 66114580
3,3-dimethyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 81003658
ethyl 1-tert-butylimidazole-2-carboxylate
CID 132990489

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(1-tert-butylimidazol-2-yl)propanoic acid (CID 83879918) is 3-(1-tert-butylimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-tert-butylimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(1-tert-butylimidazol-2-yl)propanoic acid is CC(C)(C)n1ccnc1CCC(=O)O.
What is the InChIKey of 3-(1-tert-butylimidazol-2-yl)propanoic acid?
The InChIKey is ZFRNHQKGNXAYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)12-7-6-11-8(12)4-5-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(1-tert-butylimidazol-2-yl)propanoic acid?
3-(1-tert-butylimidazol-2-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylimidazol-2-yl)propanoic acid is sourced from PubChem (CID 83879918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).