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

C6H11NO2 — CID 58669481

IUPAC2-(1-methylazetidin-3-yl)acetic acid
SMILESCN1CC(CC(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-7-3-5(4-7)2-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyFWXIDVNYQQPRNY-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.02
Rot. Bonds2

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

2-(1-methylazetidin-3-yl)acetic acid (PubChem CID 58669481) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)acetic acid
PubChem CID58669481
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(1-methylazetidin-3-yl)acetic acid
SMILESCN1CC(CC(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-7-3-5(4-7)2-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyFWXIDVNYQQPRNY-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Dimethylamino)butyric acid
CID 239820
3-Azetidineacetic acid
CID 11768547
2-(1-Methylazetidin-3-yl)acetic acid hydrochloride
CID 121553029
4-(Dimethylamino)-3-methylbutanoic acid hydrochloride
CID 137838643
2-(1-Ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
CID 18954187
CID 18954187
2-(Azetidin-3-yl)propanoic acid
CID 75478613
2-(3-Fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
CID 134533991
4-[Fluoro(methyl)amino]-2-methylbutanoic acid
CID 143059202
4-(Dimethylamino)-2-(fluoromethyl)butanoic acid
CID 145260125
2-(1-Methylazetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 155163074
2-[1-(3,3,3-Trifluoropropyl)azetidin-3-yl]acetic acid
CID 64617934

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-methylazetidin-3-yl)acetic acid (CID 58669481) is 2-(1-methylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methylazetidin-3-yl)acetic acid is CN1CC(CC(=O)O)C1.
What is the InChIKey of 2-(1-methylazetidin-3-yl)acetic acid?
The InChIKey is FWXIDVNYQQPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-3-5(4-7)2-6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(1-methylazetidin-3-yl)acetic acid?
2-(1-methylazetidin-3-yl)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)acetic acid is sourced from PubChem (CID 58669481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).