2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid

C10H16N2O4 — CID 114411797

IUPAC2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N1CC=CCC1
InChIInChI=1S/C10H16N2O4/c13-9(14)8-16-7-4-11-10(15)12-5-2-1-3-6-12/h1-2H,3-8H2,(H,11,15)(H,13,14)
InChIKeyVGUJVLQGDJQLDE-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.06
Rot. Bonds5

About 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid

2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid (PubChem CID 114411797) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid
PubChem CID114411797
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N1CC=CCC1
InChIInChI=1S/C10H16N2O4/c13-9(14)8-16-7-4-11-10(15)12-5-2-1-3-6-12/h1-2H,3-8H2,(H,11,15)(H,13,14)
InChIKeyVGUJVLQGDJQLDE-UHFFFAOYSA-N
XLogP0.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.06
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-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid (CID 114411797) is 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)N1CC=CCC1.
What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid?
The InChIKey is VGUJVLQGDJQLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9(14)8-16-7-4-11-10(15)12-5-2-1-3-6-12/h1-2H,3-8H2,(H,11,15)(H,13,14).
What are the key properties of 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid?
2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid has a molecular weight of 228.25 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 114411797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).