2-(1-cyclopropylimidazol-4-yl)propanoic acid

C9H12N2O2 — CID 83875362

IUPAC2-(1-cyclopropylimidazol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cn(C2CC2)cn1
InChIInChI=1S/C9H12N2O2/c1-6(9(12)13)8-4-11(5-10-8)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyIJDHTCXYGCKUOX-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.41
Rot. Bonds3

About 2-(1-cyclopropylimidazol-4-yl)propanoic acid

2-(1-cyclopropylimidazol-4-yl)propanoic acid (PubChem CID 83875362) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-4-yl)propanoic acid
PubChem CID83875362
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-cyclopropylimidazol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cn(C2CC2)cn1
InChIInChI=1S/C9H12N2O2/c1-6(9(12)13)8-4-11(5-10-8)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyIJDHTCXYGCKUOX-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-4-yl)propanoic acid?
The IUPAC name of 2-(1-cyclopropylimidazol-4-yl)propanoic acid (CID 83875362) is 2-(1-cyclopropylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-cyclopropylimidazol-4-yl)propanoic acid?
The canonical SMILES for 2-(1-cyclopropylimidazol-4-yl)propanoic acid is CC(C(=O)O)c1cn(C2CC2)cn1.
What is the InChIKey of 2-(1-cyclopropylimidazol-4-yl)propanoic acid?
The InChIKey is IJDHTCXYGCKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(9(12)13)8-4-11(5-10-8)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(1-cyclopropylimidazol-4-yl)propanoic acid?
2-(1-cyclopropylimidazol-4-yl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 83875362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).