1-propylazetidine-3-carboxylic acid

C7H13NO2 — CID 59412167

IUPAC1-propylazetidine-3-carboxylic acid
SMILESCCCN1CC(C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-2-3-8-4-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWGOBKLXCFZGDRY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds3

About 1-propylazetidine-3-carboxylic acid

1-propylazetidine-3-carboxylic acid (PubChem CID 59412167) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-propylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-propylazetidine-3-carboxylic acid
PubChem CID59412167
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-propylazetidine-3-carboxylic acid
SMILESCCCN1CC(C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-2-3-8-4-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWGOBKLXCFZGDRY-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylazetidine-3-carboxylic acid?
The IUPAC name of 1-propylazetidine-3-carboxylic acid (CID 59412167) is 1-propylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-propylazetidine-3-carboxylic acid?
The canonical SMILES for 1-propylazetidine-3-carboxylic acid is CCCN1CC(C(=O)O)C1.
What is the InChIKey of 1-propylazetidine-3-carboxylic acid?
The InChIKey is WGOBKLXCFZGDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-8-4-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 1-propylazetidine-3-carboxylic acid?
1-propylazetidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylazetidine-3-carboxylic acid is sourced from PubChem (CID 59412167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).