3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid

C6H9NO4 — CID 70535367

IUPAC3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
SMILESO=C1NC(C(=O)O)C1CCO
InChIInChI=1S/C6H9NO4/c8-2-1-3-4(6(10)11)7-5(3)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyGTNADIRLJUOZRZ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.43
Rot. Bonds3

About 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid

3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid (PubChem CID 70535367) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
PubChem CID70535367
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
SMILESO=C1NC(C(=O)O)C1CCO
InChIInChI=1S/C6H9NO4/c8-2-1-3-4(6(10)11)7-5(3)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyGTNADIRLJUOZRZ-UHFFFAOYSA-N
XLogP-1.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid (CID 70535367) is 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid is O=C1NC(C(=O)O)C1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
The InChIKey is GTNADIRLJUOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-2-1-3-4(6(10)11)7-5(3)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11).
What are the key properties of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 70535367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).