(6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate

C7H12N2O2 — CID 54107831

IUPAC(6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate
SMILESCC(=O)OC1CCCN=C1N
InChIInChI=1S/C7H12N2O2/c1-5(10)11-6-3-2-4-9-7(6)8/h6H,2-4H2,1H3,(H2,8,9)
InChIKeyNEZUXPPADJTKMF-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.07
Rot. Bonds1

About (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate

(6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate (PubChem CID 54107831) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate.

Molecular Properties

Compound Name(6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate
PubChem CID54107831
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name(6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate
SMILESCC(=O)OC1CCCN=C1N
InChIInChI=1S/C7H12N2O2/c1-5(10)11-6-3-2-4-9-7(6)8/h6H,2-4H2,1H3,(H2,8,9)
InChIKeyNEZUXPPADJTKMF-UHFFFAOYSA-N
XLogP0.07
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate?
The IUPAC name of (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate (CID 54107831) is (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate.
What is the SMILES notation for (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate?
The canonical SMILES for (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate is CC(=O)OC1CCCN=C1N.
What is the InChIKey of (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate?
The InChIKey is NEZUXPPADJTKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(10)11-6-3-2-4-9-7(6)8/h6H,2-4H2,1H3,(H2,8,9).
What are the key properties of (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate?
(6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate has a molecular weight of 156.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3,4,5-tetrahydropyridin-5-yl) acetate is sourced from PubChem (CID 54107831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).