4-imidazol-1-ylbutanoic acid;hydrochloride

C7H11ClN2O2 — CID 46736414

IUPAC4-imidazol-1-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCn1ccnc1
InChIInChI=1S/C7H10N2O2.ClH/c10-7(11)2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2,(H,10,11);1H
InChIKeyZALJECPKFNYKDH-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.17
Rot. Bonds4

About 4-imidazol-1-ylbutanoic acid;hydrochloride

4-imidazol-1-ylbutanoic acid;hydrochloride (PubChem CID 46736414) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 4-imidazol-1-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-imidazol-1-ylbutanoic acid;hydrochloride
PubChem CID46736414
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name4-imidazol-1-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCn1ccnc1
InChIInChI=1S/C7H10N2O2.ClH/c10-7(11)2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2,(H,10,11);1H
InChIKeyZALJECPKFNYKDH-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylbutanoic acid;hydrochloride?
The IUPAC name of 4-imidazol-1-ylbutanoic acid;hydrochloride (CID 46736414) is 4-imidazol-1-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-imidazol-1-ylbutanoic acid;hydrochloride?
The canonical SMILES for 4-imidazol-1-ylbutanoic acid;hydrochloride is Cl.O=C(O)CCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-ylbutanoic acid;hydrochloride?
The InChIKey is ZALJECPKFNYKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c10-7(11)2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2,(H,10,11);1H.
What are the key properties of 4-imidazol-1-ylbutanoic acid;hydrochloride?
4-imidazol-1-ylbutanoic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 46736414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).