4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid

C11H16N2O3 — CID 10421179

IUPAC4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCN1C=CC=C(C(=O)NCCCC(=O)O)C1
InChIInChI=1S/C11H16N2O3/c1-13-7-3-4-9(8-13)11(16)12-6-2-5-10(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,12,16)(H,14,15)
InChIKeyRGDZMSLLLSMAHV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.35
Rot. Bonds5

About 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid

4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 10421179) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID10421179
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCN1C=CC=C(C(=O)NCCCC(=O)O)C1
InChIInChI=1S/C11H16N2O3/c1-13-7-3-4-9(8-13)11(16)12-6-2-5-10(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,12,16)(H,14,15)
InChIKeyRGDZMSLLLSMAHV-UHFFFAOYSA-N
XLogP0.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.35
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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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid (CID 10421179) is 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid is CN1C=CC=C(C(=O)NCCCC(=O)O)C1.
What is the InChIKey of 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is RGDZMSLLLSMAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13-7-3-4-9(8-13)11(16)12-6-2-5-10(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid?
4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 10421179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).