2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride

C9H13ClN2O2 — CID 67130849

IUPAC2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)c1ccc(N)nc1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-9(2,8(12)13)6-3-4-7(10)11-5-6;/h3-5H,1-2H3,(H2,10,11)(H,12,13);1H
InChIKeyKFZNCYMCMYJANF-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.45
Rot. Bonds2

About 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride

2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride (PubChem CID 67130849) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride
PubChem CID67130849
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)c1ccc(N)nc1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-9(2,8(12)13)6-3-4-7(10)11-5-6;/h3-5H,1-2H3,(H2,10,11)(H,12,13);1H
InChIKeyKFZNCYMCMYJANF-UHFFFAOYSA-N
XLogP1.45
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride (CID 67130849) is 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride is CC(C)(C(=O)O)c1ccc(N)nc1.Cl.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride?
The InChIKey is KFZNCYMCMYJANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-9(2,8(12)13)6-3-4-7(10)11-5-6;/h3-5H,1-2H3,(H2,10,11)(H,12,13);1H.
What are the key properties of 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride?
2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 67130849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).