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

C7H13ClN2O3 — CID 70148163

IUPAC2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride
SMILESCl.NC1=NCCCC1OCC(=O)O
InChIInChI=1S/C7H12N2O3.ClH/c8-7-5(2-1-3-9-7)12-4-6(10)11;/h5H,1-4H2,(H2,8,9)(H,10,11);1H
InChIKeyGAKDLGFFQMAHBL-UHFFFAOYSA-N
MW208.64 g/mol
LogP0.03
Rot. Bonds3

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

2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride (PubChem CID 70148163) has the molecular formula C7H13ClN2O3 and a molecular weight of 208.64 g/mol. Its IUPAC name is 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride
PubChem CID70148163
Molecular FormulaC7H13ClN2O3
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Name2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride
SMILESCl.NC1=NCCCC1OCC(=O)O
InChIInChI=1S/C7H12N2O3.ClH/c8-7-5(2-1-3-9-7)12-4-6(10)11;/h5H,1-4H2,(H2,8,9)(H,10,11);1H
InChIKeyGAKDLGFFQMAHBL-UHFFFAOYSA-N
XLogP0.03
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate
CID 23378580
2-[(6-Amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid
CID 53657389
2-[(6-Amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid;hydrochloride
CID 70268745
Ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate;hydrochloride
CID 162325939
2-[(6-Amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid
CID 70148164
ethyl 2-[[(5R)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate
CID 97303071
ethyl 2-[[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]oxy]acetate
CID 97303072

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride?
The IUPAC name of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride (CID 70148163) is 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride is Cl.NC1=NCCCC1OCC(=O)O.
What is the InChIKey of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride?
The InChIKey is GAKDLGFFQMAHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3.ClH/c8-7-5(2-1-3-9-7)12-4-6(10)11;/h5H,1-4H2,(H2,8,9)(H,10,11);1H.
What are the key properties of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride?
2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of 0.03, 3 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]acetic acid;hydrochloride is sourced from PubChem (CID 70148163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).