3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid

C18H28N2O3 — CID 91025277

IUPAC3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
SMILESCCCCCCCCCCNC(=O)C(C(=O)O)c1cccnc1
InChIInChI=1S/C18H28N2O3/c1-2-3-4-5-6-7-8-9-13-20-17(21)16(18(22)23)15-11-10-12-19-14-15/h10-12,14,16H,2-9,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyFHZRLZOIZZKPAK-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.51
Rot. Bonds12

About 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid

3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid (PubChem CID 91025277) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
PubChem CID91025277
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
SMILESCCCCCCCCCCNC(=O)C(C(=O)O)c1cccnc1
InChIInChI=1S/C18H28N2O3/c1-2-3-4-5-6-7-8-9-13-20-17(21)16(18(22)23)15-11-10-12-19-14-15/h10-12,14,16H,2-9,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyFHZRLZOIZZKPAK-UHFFFAOYSA-N
XLogP3.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
N-dodecyl-2,2-diphenylacetamide
CID 5143289
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
N'-butyl-2-phenylpropanediamide
CID 70180418
3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91593351
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
3-tridecan-7-ylpyridine
CID 129119745
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895

Frequently Asked Questions

What is the IUPAC name of 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid (CID 91025277) is 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid is CCCCCCCCCCNC(=O)C(C(=O)O)c1cccnc1.
What is the InChIKey of 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
The InChIKey is FHZRLZOIZZKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-3-4-5-6-7-8-9-13-20-17(21)16(18(22)23)15-11-10-12-19-14-15/h10-12,14,16H,2-9,13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid has a molecular weight of 320.43 g/mol, XLogP of 3.51, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 91025277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).