4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid

C7H11NO3 — CID 67830856

IUPAC4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid
SMILESC=CC(O)C1CC(C(=O)O)N1
InChIInChI=1S/C7H11NO3/c1-2-6(9)4-3-5(8-4)7(10)11/h2,4-6,8-9H,1,3H2,(H,10,11)
InChIKeyFZYXMLJNGVDZFU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.65
Rot. Bonds3

About 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid

4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid (PubChem CID 67830856) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid
PubChem CID67830856
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid
SMILESC=CC(O)C1CC(C(=O)O)N1
InChIInChI=1S/C7H11NO3/c1-2-6(9)4-3-5(8-4)7(10)11/h2,4-6,8-9H,1,3H2,(H,10,11)
InChIKeyFZYXMLJNGVDZFU-UHFFFAOYSA-N
XLogP-0.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid?
The IUPAC name of 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid (CID 67830856) is 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid?
The canonical SMILES for 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid is C=CC(O)C1CC(C(=O)O)N1.
What is the InChIKey of 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid?
The InChIKey is FZYXMLJNGVDZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6(9)4-3-5(8-4)7(10)11/h2,4-6,8-9H,1,3H2,(H,10,11).
What are the key properties of 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid?
4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyprop-2-enyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 67830856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).