(2-oxo-4-phenylazetidin-1-yl)methyl propanoate

C13H15NO3 — CID 10399083

IUPAC(2-oxo-4-phenylazetidin-1-yl)methyl propanoate
SMILESCCC(=O)OCN1C(=O)CC1c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-13(16)17-9-14-11(8-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyIQUUVXJKCNETIR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.87
Rot. Bonds4

About (2-oxo-4-phenylazetidin-1-yl)methyl propanoate

(2-oxo-4-phenylazetidin-1-yl)methyl propanoate (PubChem CID 10399083) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2-oxo-4-phenylazetidin-1-yl)methyl propanoate.

Molecular Properties

Compound Name(2-oxo-4-phenylazetidin-1-yl)methyl propanoate
PubChem CID10399083
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(2-oxo-4-phenylazetidin-1-yl)methyl propanoate
SMILESCCC(=O)OCN1C(=O)CC1c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-13(16)17-9-14-11(8-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyIQUUVXJKCNETIR-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-phenylazetidin-1-yl)methyl propanoate?
The IUPAC name of (2-oxo-4-phenylazetidin-1-yl)methyl propanoate (CID 10399083) is (2-oxo-4-phenylazetidin-1-yl)methyl propanoate.
What is the SMILES notation for (2-oxo-4-phenylazetidin-1-yl)methyl propanoate?
The canonical SMILES for (2-oxo-4-phenylazetidin-1-yl)methyl propanoate is CCC(=O)OCN1C(=O)CC1c1ccccc1.
What is the InChIKey of (2-oxo-4-phenylazetidin-1-yl)methyl propanoate?
The InChIKey is IQUUVXJKCNETIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-13(16)17-9-14-11(8-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of (2-oxo-4-phenylazetidin-1-yl)methyl propanoate?
(2-oxo-4-phenylazetidin-1-yl)methyl propanoate has a molecular weight of 233.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-phenylazetidin-1-yl)methyl propanoate is sourced from PubChem (CID 10399083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).