ethyl 8-amino-5-pyridin-3-yloxyoctanoate

C15H24N2O3 — CID 14986710

IUPACethyl 8-amino-5-pyridin-3-yloxyoctanoate
SMILESCCOC(=O)CCCC(CCCN)Oc1cccnc1
InChIInChI=1S/C15H24N2O3/c1-2-19-15(18)9-3-6-13(7-4-10-16)20-14-8-5-11-17-12-14/h5,8,11-13H,2-4,6-7,9-10,16H2,1H3
InChIKeyRJQJYWXVCNPNAG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds10

About ethyl 8-amino-5-pyridin-3-yloxyoctanoate

ethyl 8-amino-5-pyridin-3-yloxyoctanoate (PubChem CID 14986710) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 8-amino-5-pyridin-3-yloxyoctanoate.

Molecular Properties

Compound Nameethyl 8-amino-5-pyridin-3-yloxyoctanoate
PubChem CID14986710
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 8-amino-5-pyridin-3-yloxyoctanoate
SMILESCCOC(=O)CCCC(CCCN)Oc1cccnc1
InChIInChI=1S/C15H24N2O3/c1-2-19-15(18)9-3-6-13(7-4-10-16)20-14-8-5-11-17-12-14/h5,8,11-13H,2-4,6-7,9-10,16H2,1H3
InChIKeyRJQJYWXVCNPNAG-UHFFFAOYSA-N
XLogP2.30
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-cyano-5-pyridin-3-yloxyheptanoate
CID 14986715
3-butylpyridine;ethyl dodecanoate;hydrobromide
CID 175058643
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
2-pyridin-3-yloxybutanoic acid
CID 18796174
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
pyridin-3-yl (2S)-6-amino-2-formamidohexanoate
CID 18608205
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-5-pyridin-3-yloxyoctanoate?
The IUPAC name of ethyl 8-amino-5-pyridin-3-yloxyoctanoate (CID 14986710) is ethyl 8-amino-5-pyridin-3-yloxyoctanoate.
What is the SMILES notation for ethyl 8-amino-5-pyridin-3-yloxyoctanoate?
The canonical SMILES for ethyl 8-amino-5-pyridin-3-yloxyoctanoate is CCOC(=O)CCCC(CCCN)Oc1cccnc1.
What is the InChIKey of ethyl 8-amino-5-pyridin-3-yloxyoctanoate?
The InChIKey is RJQJYWXVCNPNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-19-15(18)9-3-6-13(7-4-10-16)20-14-8-5-11-17-12-14/h5,8,11-13H,2-4,6-7,9-10,16H2,1H3.
What are the key properties of ethyl 8-amino-5-pyridin-3-yloxyoctanoate?
ethyl 8-amino-5-pyridin-3-yloxyoctanoate has a molecular weight of 280.37 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-5-pyridin-3-yloxyoctanoate is sourced from PubChem (CID 14986710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).