1-ethylazetidine-3-carboxylic acid

C6H11NO2 — CID 59678294

IUPAC1-ethylazetidine-3-carboxylic acid
SMILESCCN1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-2-7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyIQSLFTXFNOGVKK-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.02
Rot. Bonds2

About 1-ethylazetidine-3-carboxylic acid

1-ethylazetidine-3-carboxylic acid (PubChem CID 59678294) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-ethylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethylazetidine-3-carboxylic acid
PubChem CID59678294
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-ethylazetidine-3-carboxylic acid
SMILESCCN1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-2-7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyIQSLFTXFNOGVKK-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylazetidine-3-carboxylic acid?
The IUPAC name of 1-ethylazetidine-3-carboxylic acid (CID 59678294) is 1-ethylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-ethylazetidine-3-carboxylic acid?
The canonical SMILES for 1-ethylazetidine-3-carboxylic acid is CCN1CC(C(=O)O)C1.
What is the InChIKey of 1-ethylazetidine-3-carboxylic acid?
The InChIKey is IQSLFTXFNOGVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-ethylazetidine-3-carboxylic acid?
1-ethylazetidine-3-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazetidine-3-carboxylic acid is sourced from PubChem (CID 59678294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).