3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride

C8H11ClN2O2 — CID 75485668

IUPAC3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride
SMILESCl.Nc1ccc(CCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2.ClH/c9-7-3-1-6(5-10-7)2-4-8(11)12;/h1,3,5H,2,4H2,(H2,9,10)(H,11,12);1H
InChIKeyIGPBCYIMUBIUJF-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.10
Rot. Bonds3

About 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride

3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride (PubChem CID 75485668) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride
PubChem CID75485668
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride
SMILESCl.Nc1ccc(CCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2.ClH/c9-7-3-1-6(5-10-7)2-4-8(11)12;/h1,3,5H,2,4H2,(H2,9,10)(H,11,12);1H
InChIKeyIGPBCYIMUBIUJF-UHFFFAOYSA-N
XLogP1.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride?
The IUPAC name of 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride (CID 75485668) is 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride is Cl.Nc1ccc(CCC(=O)O)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride?
The InChIKey is IGPBCYIMUBIUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c9-7-3-1-6(5-10-7)2-4-8(11)12;/h1,3,5H,2,4H2,(H2,9,10)(H,11,12);1H.
What are the key properties of 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride?
3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)propanoic acid;hydrochloride is sourced from PubChem (CID 75485668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).