3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid

C10H12N2O4 — CID 81446130

IUPAC3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
SMILESCCC(Oc1cnccc1C(=O)O)C(N)=O
InChIInChI=1S/C10H12N2O4/c1-2-7(9(11)13)16-8-5-12-4-3-6(8)10(14)15/h3-5,7H,2H2,1H3,(H2,11,13)(H,14,15)
InChIKeyOQYHVZPDTBWMDX-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.42
Rot. Bonds5

About 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid

3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid (PubChem CID 81446130) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
PubChem CID81446130
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
SMILESCCC(Oc1cnccc1C(=O)O)C(N)=O
InChIInChI=1S/C10H12N2O4/c1-2-7(9(11)13)16-8-5-12-4-3-6(8)10(14)15/h3-5,7H,2H2,1H3,(H2,11,13)(H,14,15)
InChIKeyOQYHVZPDTBWMDX-UHFFFAOYSA-N
XLogP0.42
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-1-oxobutan-2-yl)oxy-5-fluorobenzoic acid
CID 115297987
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
CID 81445637
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
4-(1-amino-1-oxobutan-2-yl)oxy-3-chlorobenzoic acid
CID 62900576
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
2-quinolin-8-yloxybutanamide
CID 62901439

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid?
The IUPAC name of 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid (CID 81446130) is 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid?
The canonical SMILES for 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid is CCC(Oc1cnccc1C(=O)O)C(N)=O.
What is the InChIKey of 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid?
The InChIKey is OQYHVZPDTBWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-7(9(11)13)16-8-5-12-4-3-6(8)10(14)15/h3-5,7H,2H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid?
3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid is sourced from PubChem (CID 81446130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).