2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid

C10H14N2O2 — CID 80995950

IUPAC2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid
SMILESCc1ncn(C2CCC2C(=O)O)c1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12(5-11-6)9-4-3-8(9)10(13)14/h5,8-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyNWHJPSSZKFKKFB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.54
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid

2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80995950) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80995950
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid
SMILESCc1ncn(C2CCC2C(=O)O)c1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12(5-11-6)9-4-3-8(9)10(13)14/h5,8-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyNWHJPSSZKFKKFB-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dimethyl-1H-imidazol-1-yl)propanoic acid
CID 25220399
5-(4,5-Dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 55064886
3-(4,5-Dimethylimidazol-1-yl)butanoic acid
CID 62349842
3-(4,5-Dimethylimidazol-1-yl)-2-methylpropanoic acid
CID 62350018
4-(4,5-Dimethylimidazol-1-yl)pentanoic acid
CID 62350363
2-Amino-5-(4,5-dimethyl-1h-imidazol-1-yl)-2-methylpentanoic acid
CID 62350975
5-(4,5-Dimethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 62351132
5-(4,5-Dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 62351133
5-(4,5-Dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 62351134
5-(4,5-Dimethylimidazol-1-yl)pentanoic acid
CID 62351429
3-(4,5-Dimethylimidazol-1-yl)pentanoic acid
CID 63074265
2-(4,5-Dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 63074788

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid (CID 80995950) is 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid is Cc1ncn(C2CCC2C(=O)O)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is NWHJPSSZKFKKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(2)12(5-11-6)9-4-3-8(9)10(13)14/h5,8-9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid?
2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80995950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).