3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid

C11H14N2O3 — CID 3591670

IUPAC3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-8(6-11(15)16)5-10(14)13-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAMJTXOKTLVJSQV-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.52
Rot. Bonds5

About 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid

3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid (PubChem CID 3591670) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
PubChem CID3591670
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-8(6-11(15)16)5-10(14)13-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAMJTXOKTLVJSQV-UHFFFAOYSA-N
XLogP1.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid (CID 3591670) is 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid is CC(CC(=O)O)CC(=O)Nc1cccnc1.
What is the InChIKey of 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
The InChIKey is AMJTXOKTLVJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(6-11(15)16)5-10(14)13-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid?
3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid is sourced from PubChem (CID 3591670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).