2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid

C14H22N2O5 — CID 102659194

IUPAC2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOCC1=CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-14(21-8-12(17)18)9-16(10-14)13(19)15-5-3-11(4-6-15)7-20-2/h3H,4-10H2,1-2H3,(H,17,18)
InChIKeyBDUCSJVSTSNIPD-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.56
Rot. Bonds5

About 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659194) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659194
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOCC1=CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-14(21-8-12(17)18)9-16(10-14)13(19)15-5-3-11(4-6-15)7-20-2/h3H,4-10H2,1-2H3,(H,17,18)
InChIKeyBDUCSJVSTSNIPD-UHFFFAOYSA-N
XLogP0.56
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659194) is 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid is COCC1=CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is BDUCSJVSTSNIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-14(21-8-12(17)18)9-16(10-14)13(19)15-5-3-11(4-6-15)7-20-2/h3H,4-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 298.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).