methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate

C15H22N2O3 — CID 10333786

IUPACmethyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate
SMILESCOC(=O)CCCCCCC(C(N)=O)c1cccnc1
InChIInChI=1S/C15H22N2O3/c1-20-14(18)9-5-3-2-4-8-13(15(16)19)12-7-6-10-17-11-12/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,19)
InChIKeyTUBSRPGUHLFBEY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.16
Rot. Bonds9

About methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate

methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate (PubChem CID 10333786) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate.

Molecular Properties

Compound Namemethyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate
PubChem CID10333786
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate
SMILESCOC(=O)CCCCCCC(C(N)=O)c1cccnc1
InChIInChI=1S/C15H22N2O3/c1-20-14(18)9-5-3-2-4-8-13(15(16)19)12-7-6-10-17-11-12/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,19)
InChIKeyTUBSRPGUHLFBEY-UHFFFAOYSA-N
XLogP2.16
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yloctanoate
CID 10478117
11-phenyl-11-pyridin-3-ylundecan-2-one
CID 22444310
methyl 8-amino-7-phenyloctanoate
CID 10060632
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
pyridin-3-ylmethyl 24-methylpentacosanoate
CID 91704198
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191

Frequently Asked Questions

What is the IUPAC name of methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate?
The IUPAC name of methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate (CID 10333786) is methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate.
What is the SMILES notation for methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate?
The canonical SMILES for methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate is COC(=O)CCCCCCC(C(N)=O)c1cccnc1.
What is the InChIKey of methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate?
The InChIKey is TUBSRPGUHLFBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14(18)9-5-3-2-4-8-13(15(16)19)12-7-6-10-17-11-12/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,19).
What are the key properties of methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate?
methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate has a molecular weight of 278.35 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate is sourced from PubChem (CID 10333786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).