2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid

C10H16N2O2 — CID 90756906

IUPAC2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid
SMILESCC(Cc1cn(C)cn1)C(C)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-7(8(2)10(13)14)4-9-5-12(3)6-11-9/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyDHLRQINJJQNSAG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.32
Rot. Bonds4

About 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid

2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid (PubChem CID 90756906) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid
PubChem CID90756906
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid
SMILESCC(Cc1cn(C)cn1)C(C)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-7(8(2)10(13)14)4-9-5-12(3)6-11-9/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyDHLRQINJJQNSAG-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid (CID 90756906) is 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid is CC(Cc1cn(C)cn1)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid?
The InChIKey is DHLRQINJJQNSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(8(2)10(13)14)4-9-5-12(3)6-11-9/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid?
2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid is sourced from PubChem (CID 90756906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).