2-(azetidin-1-yl)propanoic acid

C6H11NO2 — CID 54349985

IUPAC2-(azetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC1
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)7-3-2-4-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyUFAWZEXRUMEVNX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.17
Rot. Bonds2

About 2-(azetidin-1-yl)propanoic acid

2-(azetidin-1-yl)propanoic acid (PubChem CID 54349985) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(azetidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(azetidin-1-yl)propanoic acid
PubChem CID54349985
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(azetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC1
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)7-3-2-4-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyUFAWZEXRUMEVNX-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)propanoic acid?
The IUPAC name of 2-(azetidin-1-yl)propanoic acid (CID 54349985) is 2-(azetidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(azetidin-1-yl)propanoic acid?
The canonical SMILES for 2-(azetidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)propanoic acid?
The InChIKey is UFAWZEXRUMEVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(6(8)9)7-3-2-4-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(azetidin-1-yl)propanoic acid?
2-(azetidin-1-yl)propanoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)propanoic acid is sourced from PubChem (CID 54349985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).