4-(azetidin-2-yl)but-2-enoic acid

C7H11NO2 — CID 54378833

IUPAC4-(azetidin-2-yl)but-2-enoic acid
SMILESO=C(O)C=CCC1CCN1
InChIInChI=1S/C7H11NO2/c9-7(10)3-1-2-6-4-5-8-6/h1,3,6,8H,2,4-5H2,(H,9,10)
InChIKeyUYMFAKFPSCOORS-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds3

About 4-(azetidin-2-yl)but-2-enoic acid

4-(azetidin-2-yl)but-2-enoic acid (PubChem CID 54378833) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(azetidin-2-yl)but-2-enoic acid.

Molecular Properties

Compound Name4-(azetidin-2-yl)but-2-enoic acid
PubChem CID54378833
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-(azetidin-2-yl)but-2-enoic acid
SMILESO=C(O)C=CCC1CCN1
InChIInChI=1S/C7H11NO2/c9-7(10)3-1-2-6-4-5-8-6/h1,3,6,8H,2,4-5H2,(H,9,10)
InChIKeyUYMFAKFPSCOORS-UHFFFAOYSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-2-yl)but-2-enoic acid?
The IUPAC name of 4-(azetidin-2-yl)but-2-enoic acid (CID 54378833) is 4-(azetidin-2-yl)but-2-enoic acid.
What is the SMILES notation for 4-(azetidin-2-yl)but-2-enoic acid?
The canonical SMILES for 4-(azetidin-2-yl)but-2-enoic acid is O=C(O)C=CCC1CCN1.
What is the InChIKey of 4-(azetidin-2-yl)but-2-enoic acid?
The InChIKey is UYMFAKFPSCOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7(10)3-1-2-6-4-5-8-6/h1,3,6,8H,2,4-5H2,(H,9,10).
What are the key properties of 4-(azetidin-2-yl)but-2-enoic acid?
4-(azetidin-2-yl)but-2-enoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-2-yl)but-2-enoic acid is sourced from PubChem (CID 54378833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).