2-pyrimidin-5-ylpropanoic acid;hydrochloride

C7H9ClN2O2 — CID 86775535

IUPAC2-pyrimidin-5-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)c1cncnc1.Cl
InChIInChI=1S/C7H8N2O2.ClH/c1-5(7(10)11)6-2-8-4-9-3-6;/h2-5H,1H3,(H,10,11);1H
InChIKeyHQKBTNZFTSGPNM-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.09
Rot. Bonds2

About 2-pyrimidin-5-ylpropanoic acid;hydrochloride

2-pyrimidin-5-ylpropanoic acid;hydrochloride (PubChem CID 86775535) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-pyrimidin-5-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrimidin-5-ylpropanoic acid;hydrochloride
PubChem CID86775535
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-pyrimidin-5-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)c1cncnc1.Cl
InChIInChI=1S/C7H8N2O2.ClH/c1-5(7(10)11)6-2-8-4-9-3-6;/h2-5H,1H3,(H,10,11);1H
InChIKeyHQKBTNZFTSGPNM-UHFFFAOYSA-N
XLogP1.09
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-pyrimidin-5-ylpropanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-pyrimidin-5-ylpropanoic acid;hydrochloride (CID 86775535) is 2-pyrimidin-5-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-pyrimidin-5-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-pyrimidin-5-ylpropanoic acid;hydrochloride is CC(C(=O)O)c1cncnc1.Cl.
What is the InChIKey of 2-pyrimidin-5-ylpropanoic acid;hydrochloride?
The InChIKey is HQKBTNZFTSGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c1-5(7(10)11)6-2-8-4-9-3-6;/h2-5H,1H3,(H,10,11);1H.
What are the key properties of 2-pyrimidin-5-ylpropanoic acid;hydrochloride?
2-pyrimidin-5-ylpropanoic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 86775535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).