2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid

C10H19NO4 — CID 102659454

IUPAC2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOC(C)CN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H19NO4/c1-8(14-3)4-11-6-10(2,7-11)15-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeySLZAONQECWTRNY-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.20
Rot. Bonds6

About 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659454) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659454
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOC(C)CN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H19NO4/c1-8(14-3)4-11-6-10(2,7-11)15-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeySLZAONQECWTRNY-UHFFFAOYSA-N
XLogP0.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102659604
2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
CID 102659384
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[1-(1-methoxy-3-methylbutan-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660020
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-(2-amino-3,3-dimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658290
2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659746
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659454) is 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid is COC(C)CN1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is SLZAONQECWTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(14-3)4-11-6-10(2,7-11)15-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).