2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride

C9H17ClN2O3 — CID 70268745

IUPAC2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride
SMILESCCC(OC1CCCN=C1N)C(=O)O.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-6(9(12)13)14-7-4-3-5-11-8(7)10;/h6-7H,2-5H2,1H3,(H2,10,11)(H,12,13);1H
InChIKeyGEIAULHNWGLOOZ-UHFFFAOYSA-N
MW236.70 g/mol
LogP0.81
Rot. Bonds4

About 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride

2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride (PubChem CID 70268745) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride
PubChem CID70268745
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Name2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride
SMILESCCC(OC1CCCN=C1N)C(=O)O.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-6(9(12)13)14-7-4-3-5-11-8(7)10;/h6-7H,2-5H2,1H3,(H2,10,11)(H,12,13);1H
InChIKeyGEIAULHNWGLOOZ-UHFFFAOYSA-N
XLogP0.81
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride?
The IUPAC name of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride (CID 70268745) is 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride.
What is the SMILES notation for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride?
The canonical SMILES for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride is CCC(OC1CCCN=C1N)C(=O)O.Cl.
What is the InChIKey of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride?
The InChIKey is GEIAULHNWGLOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-2-6(9(12)13)14-7-4-3-5-11-8(7)10;/h6-7H,2-5H2,1H3,(H2,10,11)(H,12,13);1H.
What are the key properties of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride?
2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride is sourced from PubChem (CID 70268745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).