5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid

C12H16N2O5 — CID 79794427

IUPAC5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
SMILESCOCCNC(=O)C(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O5/c1-8(11(15)13-5-6-18-2)19-9-3-4-10(12(16)17)14-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNPDNVJNQJPBJLC-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.31
Rot. Bonds7

About 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid

5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid (PubChem CID 79794427) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
PubChem CID79794427
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
SMILESCOCCNC(=O)C(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O5/c1-8(11(15)13-5-6-18-2)19-9-3-4-10(12(16)17)14-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNPDNVJNQJPBJLC-UHFFFAOYSA-N
XLogP0.31
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-(4-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116881
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
CID 81445637
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43116983

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid (CID 79794427) is 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid is COCCNC(=O)C(C)Oc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid?
The InChIKey is NPDNVJNQJPBJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(11(15)13-5-6-18-2)19-9-3-4-10(12(16)17)14-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid?
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 79794427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).