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

C11H14N2O3 — CID 2169470

IUPAC5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccccn1
InChIInChI=1S/C11H14N2O3/c14-10(5-3-6-11(15)16)13-8-9-4-1-2-7-12-9/h1-2,4,7H,3,5-6,8H2,(H,13,14)(H,15,16)
InChIKeyNSODSXPPVBBVMT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.95
Rot. Bonds6

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

5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid (PubChem CID 2169470) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid
PubChem CID2169470
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccccn1
InChIInChI=1S/C11H14N2O3/c14-10(5-3-6-11(15)16)13-8-9-4-1-2-7-12-9/h1-2,4,7H,3,5-6,8H2,(H,13,14)(H,15,16)
InChIKeyNSODSXPPVBBVMT-UHFFFAOYSA-N
XLogP0.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid (CID 2169470) is 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid is O=C(O)CCCC(=O)NCc1ccccn1.
What is the InChIKey of 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid?
The InChIKey is NSODSXPPVBBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10(5-3-6-11(15)16)13-8-9-4-1-2-7-12-9/h1-2,4,7H,3,5-6,8H2,(H,13,14)(H,15,16).
What are the key properties of 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid?
5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid is sourced from PubChem (CID 2169470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).