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

C10H12N2O3 — CID 776619

IUPAC5-oxo-5-(pyridin-2-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C10H12N2O3/c13-9(5-3-6-10(14)15)12-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2,(H,14,15)(H,11,12,13)
InChIKeyBBRRLSPBPBDMTE-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.27
Rot. Bonds5

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

5-oxo-5-(pyridin-2-ylamino)pentanoic acid (PubChem CID 776619) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-oxo-5-(pyridin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(pyridin-2-ylamino)pentanoic acid
PubChem CID776619
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-oxo-5-(pyridin-2-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C10H12N2O3/c13-9(5-3-6-10(14)15)12-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2,(H,14,15)(H,11,12,13)
InChIKeyBBRRLSPBPBDMTE-UHFFFAOYSA-N
XLogP1.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.27
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-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(pyridin-2-ylamino)pentanoic acid (CID 776619) is 5-oxo-5-(pyridin-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(pyridin-2-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(pyridin-2-ylamino)pentanoic acid is O=C(O)CCCC(=O)Nc1ccccn1.
What is the InChIKey of 5-oxo-5-(pyridin-2-ylamino)pentanoic acid?
The InChIKey is BBRRLSPBPBDMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9(5-3-6-10(14)15)12-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2,(H,14,15)(H,11,12,13).
What are the key properties of 5-oxo-5-(pyridin-2-ylamino)pentanoic acid?
5-oxo-5-(pyridin-2-ylamino)pentanoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.27, 5 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-ylamino)pentanoic acid is sourced from PubChem (CID 776619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).