2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid

C11H16N2O3 — CID 18469002

IUPAC2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCCCc1ccc(N)c(=O)n1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-2-3-4-8-5-6-9(12)11(16)13(8)7-10(14)15/h5-6H,2-4,7,12H2,1H3,(H,14,15)
InChIKeyCOFNTXNPSKYDLD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.86
Rot. Bonds5

About 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid

2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 18469002) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID18469002
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCCCc1ccc(N)c(=O)n1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-2-3-4-8-5-6-9(12)11(16)13(8)7-10(14)15/h5-6H,2-4,7,12H2,1H3,(H,14,15)
InChIKeyCOFNTXNPSKYDLD-UHFFFAOYSA-N
XLogP0.86
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid (CID 18469002) is 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid is CCCCc1ccc(N)c(=O)n1CC(=O)O.
What is the InChIKey of 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is COFNTXNPSKYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-4-8-5-6-9(12)11(16)13(8)7-10(14)15/h5-6H,2-4,7,12H2,1H3,(H,14,15).
What are the key properties of 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid?
2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 18469002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).