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

C15H25NO4 — CID 102657091

IUPAC2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C15H25NO4/c1-15(20-9-14(18)19)10-16(11-15)13(17)8-7-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,18,19)
InChIKeyVEZCSZYSZPSMNU-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds6

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

2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657091) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657091
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C15H25NO4/c1-15(20-9-14(18)19)10-16(11-15)13(17)8-7-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,18,19)
InChIKeyVEZCSZYSZPSMNU-UHFFFAOYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657091) is 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)CCC2CCCCC2)C1.
What is the InChIKey of 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is VEZCSZYSZPSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(20-9-14(18)19)10-16(11-15)13(17)8-7-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclohexylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).