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

C13H20N2O4 — CID 102659193

IUPAC2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1=CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C13H20N2O4/c1-10-3-5-14(6-4-10)12(18)15-8-13(2,9-15)19-7-11(16)17/h3H,4-9H2,1-2H3,(H,16,17)
InChIKeyCDNJUPLCGDYNCM-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.93
Rot. Bonds3

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

2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659193) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659193
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1=CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C13H20N2O4/c1-10-3-5-14(6-4-10)12(18)15-8-13(2,9-15)19-7-11(16)17/h3H,4-9H2,1-2H3,(H,16,17)
InChIKeyCDNJUPLCGDYNCM-UHFFFAOYSA-N
XLogP0.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[Ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658492
2-[3-Methyl-1-[methyl(prop-2-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102659073
2-[1-[Ethyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659074
2-[1-[Tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659075
2-[3-methyl-1-[[(E)-pent-3-enyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102659129
2-[3-Methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102659162
2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659192
2-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659194
2-[1-[2-Methoxyethyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 103339877
2-[3-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 106315862
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
CID 106315939
2-[2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 113581669

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102659193) is 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid is CC1=CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1.
What is the InChIKey of 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is CDNJUPLCGDYNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-10-3-5-14(6-4-10)12(18)15-8-13(2,9-15)19-7-11(16)17/h3H,4-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).