3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid

C13H18N2O6 — CID 82056144

IUPAC3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid
SMILESCOCCNC(=O)COc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C13H18N2O6/c1-20-8-5-14-11(16)9-21-10-3-2-6-15(13(10)19)7-4-12(17)18/h2-3,6H,4-5,7-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyVDQWVHUYCXQMRQ-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.54
Rot. Bonds9

About 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid

3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 82056144) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid
PubChem CID82056144
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid
SMILESCOCCNC(=O)COc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C13H18N2O6/c1-20-8-5-14-11(16)9-21-10-3-2-6-15(13(10)19)7-4-12(17)18/h2-3,6H,4-5,7-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyVDQWVHUYCXQMRQ-UHFFFAOYSA-N
XLogP-0.54
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid (CID 82056144) is 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid is COCCNC(=O)COc1cccn(CCC(=O)O)c1=O.
What is the InChIKey of 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is VDQWVHUYCXQMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-20-8-5-14-11(16)9-21-10-3-2-6-15(13(10)19)7-4-12(17)18/h2-3,6H,4-5,7-9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid?
3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 298.30 g/mol, XLogP of -0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82056144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).