tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate

C15H24N2O4 — CID 164965400

IUPACtert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate
SMILESCOc1ncc(OCCCCC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-13(18)7-5-6-8-20-11-9-12(16)14(19-4)17-10-11/h9-10H,5-8,16H2,1-4H3
InChIKeyAKTAWYUJFSLFDW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.56
Rot. Bonds7

About tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate

tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate (PubChem CID 164965400) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate.

Molecular Properties

Compound Nametert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate
PubChem CID164965400
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate
SMILESCOc1ncc(OCCCCC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-13(18)7-5-6-8-20-11-9-12(16)14(19-4)17-10-11/h9-10H,5-8,16H2,1-4H3
InChIKeyAKTAWYUJFSLFDW-UHFFFAOYSA-N
XLogP2.56
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate?
The IUPAC name of tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate (CID 164965400) is tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate.
What is the SMILES notation for tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate?
The canonical SMILES for tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate is COc1ncc(OCCCCC(=O)OC(C)(C)C)cc1N.
What is the InChIKey of tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate?
The InChIKey is AKTAWYUJFSLFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-13(18)7-5-6-8-20-11-9-12(16)14(19-4)17-10-11/h9-10H,5-8,16H2,1-4H3.
What are the key properties of tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate?
tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate has a molecular weight of 296.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(5-amino-6-methoxy-3-pyridinyl)oxy]pentanoate is sourced from PubChem (CID 164965400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).