2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid

C9H14N2O3 — CID 86340417

IUPAC2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid
SMILESCOCCNC1NC=CC=C1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-14-6-5-11-8-7(9(12)13)3-2-4-10-8/h2-4,8,10-11H,5-6H2,1H3,(H,12,13)
InChIKeyJVEGYXDHWWNKOD-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.32
Rot. Bonds5

About 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid

2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid (PubChem CID 86340417) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid
PubChem CID86340417
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid
SMILESCOCCNC1NC=CC=C1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-14-6-5-11-8-7(9(12)13)3-2-4-10-8/h2-4,8,10-11H,5-6H2,1H3,(H,12,13)
InChIKeyJVEGYXDHWWNKOD-UHFFFAOYSA-N
XLogP-0.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid (CID 86340417) is 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid is COCCNC1NC=CC=C1C(=O)O.
What is the InChIKey of 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid?
The InChIKey is JVEGYXDHWWNKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-14-6-5-11-8-7(9(12)13)3-2-4-10-8/h2-4,8,10-11H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid?
2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1,2-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 86340417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).