5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid

C15H22N2O3 — CID 123323650

IUPAC5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCCCCc1ccccn1
InChIInChI=1S/C15H22N2O3/c18-14(9-6-10-15(19)20)17-12-4-1-2-7-13-8-3-5-11-16-13/h3,5,8,11H,1-2,4,6-7,9-10,12H2,(H,17,18)(H,19,20)
InChIKeyLISMMCGBBYLQKR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds10

About 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid

5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid (PubChem CID 123323650) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
PubChem CID123323650
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCCCCc1ccccn1
InChIInChI=1S/C15H22N2O3/c18-14(9-6-10-15(19)20)17-12-4-1-2-7-13-8-3-5-11-16-13/h3,5,8,11H,1-2,4,6-7,9-10,12H2,(H,17,18)(H,19,20)
InChIKeyLISMMCGBBYLQKR-UHFFFAOYSA-N
XLogP2.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 61190060
3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
CID 91780050
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133
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CID 71129906
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoic acid
CID 12795574
5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid
CID 123386386
3-(2-pyridin-2-ylethylamino)propanoic acid
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N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid (CID 123323650) is 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid is O=C(O)CCCC(=O)NCCCCCc1ccccn1.
What is the InChIKey of 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid?
The InChIKey is LISMMCGBBYLQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(9-6-10-15(19)20)17-12-4-1-2-7-13-8-3-5-11-16-13/h3,5,8,11H,1-2,4,6-7,9-10,12H2,(H,17,18)(H,19,20).
What are the key properties of 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid?
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid is sourced from PubChem (CID 123323650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).