2-(azetidin-1-yl)acetic acid

C5H9NO2 — CID 18923029

IUPAC2-(azetidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC1
InChIInChI=1S/C5H9NO2/c7-5(8)4-6-2-1-3-6/h1-4H2,(H,7,8)
InChIKeySVDWECPQUANQNC-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.22
Rot. Bonds2

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

2-(azetidin-1-yl)acetic acid (PubChem CID 18923029) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-(azetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(azetidin-1-yl)acetic acid
PubChem CID18923029
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-(azetidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC1
InChIInChI=1S/C5H9NO2/c7-5(8)4-6-2-1-3-6/h1-4H2,(H,7,8)
InChIKeySVDWECPQUANQNC-UHFFFAOYSA-N
XLogP-0.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.22
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)acetic acid?
The IUPAC name of 2-(azetidin-1-yl)acetic acid (CID 18923029) is 2-(azetidin-1-yl)acetic acid.
What is the SMILES notation for 2-(azetidin-1-yl)acetic acid?
The canonical SMILES for 2-(azetidin-1-yl)acetic acid is O=C(O)CN1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)acetic acid?
The InChIKey is SVDWECPQUANQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-5(8)4-6-2-1-3-6/h1-4H2,(H,7,8).
What are the key properties of 2-(azetidin-1-yl)acetic acid?
2-(azetidin-1-yl)acetic acid has a molecular weight of 115.13 g/mol, XLogP of -0.22, 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)acetic acid is sourced from PubChem (CID 18923029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).