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

C10H16N2O3 — CID 102659746

IUPAC2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCC(C#N)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-3-8(4-11)12-6-10(2,7-12)15-5-9(13)14/h8H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyGIGKRPCYVIMTFH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.46
Rot. Bonds5

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

2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659746) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659746
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCC(C#N)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-3-8(4-11)12-6-10(2,7-12)15-5-9(13)14/h8H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyGIGKRPCYVIMTFH-UHFFFAOYSA-N
XLogP0.46
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659746) is 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid is CCC(C#N)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is GIGKRPCYVIMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-8(4-11)12-6-10(2,7-12)15-5-9(13)14/h8H,3,5-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).