3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid

C7H11NO2 — CID 155390164

IUPAC3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid
SMILESC/C=C\C1CN(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-2-3-6-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)/b3-2-
InChIKeyWXQLQFTWHUYMSM-IHWYPQMZSA-N
MW141.17 g/mol
LogP1.17
Rot. Bonds1

About 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid

3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid (PubChem CID 155390164) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid
PubChem CID155390164
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid
SMILESC/C=C\C1CN(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-2-3-6-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)/b3-2-
InChIKeyWXQLQFTWHUYMSM-IHWYPQMZSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid (CID 155390164) is 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid is C/C=C\C1CN(C(=O)O)C1.
What is the InChIKey of 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid?
The InChIKey is WXQLQFTWHUYMSM-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-6-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)/b3-2-.
What are the key properties of 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid?
3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 155390164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).