2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid

C11H18N2O4 — CID 106315939

IUPAC2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCC1=CCCN(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-9-3-2-5-13(7-9)11(16)12-4-6-17-8-10(14)15/h3H,2,4-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyAJNKWJDGWOPAKG-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.45
Rot. Bonds5

About 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid

2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid (PubChem CID 106315939) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
PubChem CID106315939
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCC1=CCCN(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-9-3-2-5-13(7-9)11(16)12-4-6-17-8-10(14)15/h3H,2,4-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyAJNKWJDGWOPAKG-UHFFFAOYSA-N
XLogP0.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid (CID 106315939) is 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid is CC1=CCCN(C(=O)NCCOCC(=O)O)C1.
What is the InChIKey of 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is AJNKWJDGWOPAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-9-3-2-5-13(7-9)11(16)12-4-6-17-8-10(14)15/h3H,2,4-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 242.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 106315939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).