4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid

C15H22N2O3 — CID 39151147

IUPAC4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1cc(N2CCCCCC2)ccc1=O
InChIInChI=1S/C15H22N2O3/c18-14-8-7-13(16-9-3-1-2-4-10-16)12-17(14)11-5-6-15(19)20/h7-8,12H,1-6,9-11H2,(H,19,20)
InChIKeyXSEJUKKKHDLPBN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.09
Rot. Bonds5

About 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid

4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 39151147) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid
PubChem CID39151147
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1cc(N2CCCCCC2)ccc1=O
InChIInChI=1S/C15H22N2O3/c18-14-8-7-13(16-9-3-1-2-4-10-16)12-17(14)11-5-6-15(19)20/h7-8,12H,1-6,9-11H2,(H,19,20)
InChIKeyXSEJUKKKHDLPBN-UHFFFAOYSA-N
XLogP2.09
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]-2-methylpropanoyl]amino]propanoic acid
CID 39151040
1-(2-hydroxyethyl)-5-morpholin-4-ylpyridin-2-one
CID 59843097
4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
CID 82031405
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609
N-(2-aminoethyl)-5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanamide
CID 39151053
4-[5-(5-chloro-2-oxo-1-pyridinyl)pentanoylamino]butanoic acid
CID 92941117
1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 82032054
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 117410844
2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
CID 82031284
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
CID 134069455

Frequently Asked Questions

What is the IUPAC name of 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid (CID 39151147) is 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid is O=C(O)CCCn1cc(N2CCCCCC2)ccc1=O.
What is the InChIKey of 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is XSEJUKKKHDLPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-8-7-13(16-9-3-1-2-4-10-16)12-17(14)11-5-6-15(19)20/h7-8,12H,1-6,9-11H2,(H,19,20).
What are the key properties of 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 39151147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).