ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate

C9H16N2O3 — CID 23378580

IUPACethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate
SMILESCCOC(=O)COC1CCCN=C1N
InChIInChI=1S/C9H16N2O3/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyPKNMEVWUZDHHLO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.09
Rot. Bonds4

About ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate

ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate (PubChem CID 23378580) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate
PubChem CID23378580
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate
SMILESCCOC(=O)COC1CCCN=C1N
InChIInChI=1S/C9H16N2O3/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyPKNMEVWUZDHHLO-UHFFFAOYSA-N
XLogP0.09
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-Amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]butanoic acid
CID 53657389
(6-Amino-2,3,4,5-tetrahydropyridin-5-yl) acetate
CID 54107831
[(3R,4R,5S)-4,5-diacetyloxy-6-amino-2,3,4,5-tetrahydropyridin-3-yl] acetate
CID 54174189
[(3R,4R,5S)-4,5-diacetyloxy-6-amino-2,3,4,5-tetrahydropyridin-3-yl] acetate;hydrochloride
CID 67552823
2-[(6-Amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride
CID 70148163
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 ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate (CID 23378580) is ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate is CCOC(=O)COC1CCCN=C1N.
What is the InChIKey of ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate?
The InChIKey is PKNMEVWUZDHHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10/h7H,2-6H2,1H3,(H2,10,11).
What are the key properties of ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate?
ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate has a molecular weight of 200.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetate is sourced from PubChem (CID 23378580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).