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

C6H11NO2 — CID 15179380

IUPAC2-(3-methylazetidin-3-yl)acetic acid
SMILESCC1(CC(=O)O)CNC1
InChIInChI=1S/C6H11NO2/c1-6(2-5(8)9)3-7-4-6/h7H,2-4H2,1H3,(H,8,9)
InChIKeySURINFOZTGZORF-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds2

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

2-(3-methylazetidin-3-yl)acetic acid (PubChem CID 15179380) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)acetic acid
PubChem CID15179380
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(3-methylazetidin-3-yl)acetic acid
SMILESCC1(CC(=O)O)CNC1
InChIInChI=1S/C6H11NO2/c1-6(2-5(8)9)3-7-4-6/h7H,2-4H2,1H3,(H,8,9)
InChIKeySURINFOZTGZORF-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azetidineacetic acid
CID 11768547
Methyl 2-(3-methylazetidin-3-yl)acetate hydrochloride
CID 165997206
2-(Azetidin-3-yl)propanoic acid
CID 75478613
2-(Azetidin-3-yl)-2-fluoroacetic acid
CID 105427707
3-(1-Fluoroethyl)azetidine-3-carboxylic acid
CID 105429000
3-(2-Fluoropropan-2-yl)azetidine-3-carboxylic acid
CID 105431553
2-(3-Fluoroazetidin-3-yl)acetic acid
CID 115011263
3,3-Dimethylazetidine-2-carboxylic acid
CID 15388754
2,2-Dimethyl-4-(methylamino)butanoic acid
CID 20643468
3,3-Dimethyl-4-(methylamino)butanoic acid
CID 20643478
4-(Ethylamino)-2,2-dimethylbutanoic acid
CID 54320919
2-Methyl-4-(methylamino)butanoic acid
CID 55286236

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(3-methylazetidin-3-yl)acetic acid (CID 15179380) is 2-(3-methylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-methylazetidin-3-yl)acetic acid is CC1(CC(=O)O)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)acetic acid?
The InChIKey is SURINFOZTGZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2-5(8)9)3-7-4-6/h7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(3-methylazetidin-3-yl)acetic acid?
2-(3-methylazetidin-3-yl)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)acetic acid is sourced from PubChem (CID 15179380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).