3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid

C9H11NO6 — CID 69079289

IUPAC3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C1C(=O)N1CC(O)C1
InChIInChI=1S/C9H11NO6/c11-3-1-10(2-3)7(12)4-5(8(13)14)6(4)9(15)16/h3-6,11H,1-2H2,(H,13,14)(H,15,16)
InChIKeyHJOHQFIJJROOCT-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.78
Rot. Bonds3

About 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid

3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 69079289) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid
PubChem CID69079289
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Name3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C1C(=O)N1CC(O)C1
InChIInChI=1S/C9H11NO6/c11-3-1-10(2-3)7(12)4-5(8(13)14)6(4)9(15)16/h3-6,11H,1-2H2,(H,13,14)(H,15,16)
InChIKeyHJOHQFIJJROOCT-UHFFFAOYSA-N
XLogP-1.78
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid (CID 69079289) is 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid is O=C(O)C1C(C(=O)O)C1C(=O)N1CC(O)C1.
What is the InChIKey of 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is HJOHQFIJJROOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6/c11-3-1-10(2-3)7(12)4-5(8(13)14)6(4)9(15)16/h3-6,11H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 229.19 g/mol, XLogP of -1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 69079289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).