3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

C11H14N2O5 — CID 61380351

IUPAC3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCOCCNC(=O)COc1cccnc1C(=O)O
InChIInChI=1S/C11H14N2O5/c1-17-6-5-12-9(14)7-18-8-3-2-4-13-10(8)11(15)16/h2-4H,5-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyGKAWSORDQMRXGB-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.08
Rot. Bonds7

About 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 61380351) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID61380351
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCOCCNC(=O)COc1cccnc1C(=O)O
InChIInChI=1S/C11H14N2O5/c1-17-6-5-12-9(14)7-18-8-3-2-4-13-10(8)11(15)16/h2-4H,5-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyGKAWSORDQMRXGB-UHFFFAOYSA-N
XLogP-0.08
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.08
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

3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
3-[2-(cyanomethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380031
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380447
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 106954846
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678
1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 3023257

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 61380351) is 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is COCCNC(=O)COc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is GKAWSORDQMRXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-6-5-12-9(14)7-18-8-3-2-4-13-10(8)11(15)16/h2-4H,5-7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).