azetidine-1,3-dicarboxylic acid

C5H7NO4 — CID 21113193

IUPACazetidine-1,3-dicarboxylic acid
SMILESO=C(O)C1CN(C(=O)O)C1
InChIInChI=1S/C5H7NO4/c7-4(8)3-1-6(2-3)5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)
InChIKeyFMZMOLLKJFXCNK-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.32
Rot. Bonds1

About azetidine-1,3-dicarboxylic acid

azetidine-1,3-dicarboxylic acid (PubChem CID 21113193) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is azetidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Nameazetidine-1,3-dicarboxylic acid
PubChem CID21113193
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Nameazetidine-1,3-dicarboxylic acid
SMILESO=C(O)C1CN(C(=O)O)C1
InChIInChI=1S/C5H7NO4/c7-4(8)3-1-6(2-3)5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)
InChIKeyFMZMOLLKJFXCNK-UHFFFAOYSA-N
XLogP-0.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidine-1,3-dicarboxylic acid?
The IUPAC name of azetidine-1,3-dicarboxylic acid (CID 21113193) is azetidine-1,3-dicarboxylic acid.
What is the SMILES notation for azetidine-1,3-dicarboxylic acid?
The canonical SMILES for azetidine-1,3-dicarboxylic acid is O=C(O)C1CN(C(=O)O)C1.
What is the InChIKey of azetidine-1,3-dicarboxylic acid?
The InChIKey is FMZMOLLKJFXCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-4(8)3-1-6(2-3)5(9)10/h3H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of azetidine-1,3-dicarboxylic acid?
azetidine-1,3-dicarboxylic acid has a molecular weight of 145.11 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-1,3-dicarboxylic acid is sourced from PubChem (CID 21113193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).