2-(azetidin-3-yl)propanoic acid

C6H11NO2 — CID 75478613

IUPAC2-(azetidin-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CNC1
InChIInChI=1S/C6H11NO2/c1-4(6(8)9)5-2-7-3-5/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyAYXWYUKDVYYPKN-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.07
Rot. Bonds2

About 2-(azetidin-3-yl)propanoic acid

2-(azetidin-3-yl)propanoic acid (PubChem CID 75478613) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(azetidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)propanoic acid
PubChem CID75478613
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(azetidin-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CNC1
InChIInChI=1S/C6H11NO2/c1-4(6(8)9)5-2-7-3-5/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyAYXWYUKDVYYPKN-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylamino)butyric acid
CID 70703
3-Azetidineacetic acid
CID 11768547
2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
CID 67112606
2-(Azetidin-3-yl)propanoic acid; trifluoroacetic acid
CID 75478612
2-(Azetidin-3-yl)-2-fluoroacetic acid hydrochloride
CID 134163173
2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
trans-3-Methylazetidine-2-carboxylic acid
CID 54425638
4-((~2~H_3_)Methylamino)butanoic acid
CID 46782184
2-(Azetidin-3-yl)-2-fluoroacetic acid
CID 105427707
2-(Azetidin-3-yl)-2,2-difluoroacetic acid
CID 105429494
2-(3-Fluoroazetidin-3-yl)acetic acid
CID 115011263
2-(Azetidin-3-yl)-2-methylpropanoic acid; trifluoroacetic acid
CID 135392488

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)propanoic acid?
The IUPAC name of 2-(azetidin-3-yl)propanoic acid (CID 75478613) is 2-(azetidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(azetidin-3-yl)propanoic acid?
The canonical SMILES for 2-(azetidin-3-yl)propanoic acid is CC(C(=O)O)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)propanoic acid?
The InChIKey is AYXWYUKDVYYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(6(8)9)5-2-7-3-5/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(azetidin-3-yl)propanoic acid?
2-(azetidin-3-yl)propanoic 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-(azetidin-3-yl)propanoic acid is sourced from PubChem (CID 75478613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).