3-acetyloxyazetidine-1-carboxylic acid

C6H9NO4 — CID 66685797

IUPAC3-acetyloxyazetidine-1-carboxylic acid
SMILESCC(=O)OC1CN(C(=O)O)C1
InChIInChI=1S/C6H9NO4/c1-4(8)11-5-2-7(3-5)6(9)10/h5H,2-3H2,1H3,(H,9,10)
InChIKeyGASDRJSODXUODV-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.09
Rot. Bonds1

About 3-acetyloxyazetidine-1-carboxylic acid

3-acetyloxyazetidine-1-carboxylic acid (PubChem CID 66685797) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 3-acetyloxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-acetyloxyazetidine-1-carboxylic acid
PubChem CID66685797
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name3-acetyloxyazetidine-1-carboxylic acid
SMILESCC(=O)OC1CN(C(=O)O)C1
InChIInChI=1S/C6H9NO4/c1-4(8)11-5-2-7(3-5)6(9)10/h5H,2-3H2,1H3,(H,9,10)
InChIKeyGASDRJSODXUODV-UHFFFAOYSA-N
XLogP-0.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyloxyazetidine-1-carboxylic acid?
The IUPAC name of 3-acetyloxyazetidine-1-carboxylic acid (CID 66685797) is 3-acetyloxyazetidine-1-carboxylic acid.
What is the SMILES notation for 3-acetyloxyazetidine-1-carboxylic acid?
The canonical SMILES for 3-acetyloxyazetidine-1-carboxylic acid is CC(=O)OC1CN(C(=O)O)C1.
What is the InChIKey of 3-acetyloxyazetidine-1-carboxylic acid?
The InChIKey is GASDRJSODXUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(8)11-5-2-7(3-5)6(9)10/h5H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-acetyloxyazetidine-1-carboxylic acid?
3-acetyloxyazetidine-1-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyloxyazetidine-1-carboxylic acid is sourced from PubChem (CID 66685797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).