2-(5-chloroimidazol-1-yl)propanoic acid

C6H7ClN2O2 — CID 174653094

IUPAC2-(5-chloroimidazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1cncc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-4(6(10)11)9-3-8-2-5(9)7/h2-4H,1H3,(H,10,11)
InChIKeyMWDQKFNLIPNEBR-UHFFFAOYSA-N
MW174.59 g/mol
LogP1.18
Rot. Bonds2

About 2-(5-chloroimidazol-1-yl)propanoic acid

2-(5-chloroimidazol-1-yl)propanoic acid (PubChem CID 174653094) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-(5-chloroimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-chloroimidazol-1-yl)propanoic acid
PubChem CID174653094
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-(5-chloroimidazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1cncc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-4(6(10)11)9-3-8-2-5(9)7/h2-4H,1H3,(H,10,11)
InChIKeyMWDQKFNLIPNEBR-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-chloroimidazol-1-yl)propanoic acid (CID 174653094) is 2-(5-chloroimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-chloroimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-chloroimidazol-1-yl)propanoic acid is CC(C(=O)O)n1cncc1Cl.
What is the InChIKey of 2-(5-chloroimidazol-1-yl)propanoic acid?
The InChIKey is MWDQKFNLIPNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-4(6(10)11)9-3-8-2-5(9)7/h2-4H,1H3,(H,10,11).
What are the key properties of 2-(5-chloroimidazol-1-yl)propanoic acid?
2-(5-chloroimidazol-1-yl)propanoic acid has a molecular weight of 174.59 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroimidazol-1-yl)propanoic acid is sourced from PubChem (CID 174653094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).