2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid

C9H15NO2 — CID 79695487

IUPAC2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid
SMILESCC1CN(C(C(=O)O)C2CC2)C1
InChIInChI=1S/C9H15NO2/c1-6-4-10(5-6)8(9(11)12)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyAZCXHYNJRHHZFC-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.80
Rot. Bonds3

About 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid

2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid (PubChem CID 79695487) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid
PubChem CID79695487
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid
SMILESCC1CN(C(C(=O)O)C2CC2)C1
InChIInChI=1S/C9H15NO2/c1-6-4-10(5-6)8(9(11)12)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyAZCXHYNJRHHZFC-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid (CID 79695487) is 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid is CC1CN(C(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid?
The InChIKey is AZCXHYNJRHHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-10(5-6)8(9(11)12)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid?
2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid is sourced from PubChem (CID 79695487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).