aziridine-2,3-dicarboxylic acid

C4H5NO4 — CID 22712963

IUPACaziridine-2,3-dicarboxylic acid
SMILESO=C(O)C1NC1C(=O)O
InChIInChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9)
InChIKeyIFCCPDAHQDGHMH-UHFFFAOYSA-N
MW131.09 g/mol
LogP-1.50
Rot. Bonds2

About aziridine-2,3-dicarboxylic acid

aziridine-2,3-dicarboxylic acid (PubChem CID 22712963) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is aziridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Nameaziridine-2,3-dicarboxylic acid
PubChem CID22712963
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Nameaziridine-2,3-dicarboxylic acid
SMILESO=C(O)C1NC1C(=O)O
InChIInChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9)
InChIKeyIFCCPDAHQDGHMH-UHFFFAOYSA-N
XLogP-1.50
TPSA96.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 22880
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CID 4376
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CID 3080847
CID 3080847
CID 92982
CID 92982
CID 21715
CID 21715
CID 131409
CID 131409
CID 10241074
CID 10241074
CID 3032846
CID 3032846
CID 13894864
CID 13894864
CID 54182982
CID 54182982
CID 10080645
CID 10080645
CID 10920797
CID 10920797

Frequently Asked Questions

What is the IUPAC name of aziridine-2,3-dicarboxylic acid?
The IUPAC name of aziridine-2,3-dicarboxylic acid (CID 22712963) is aziridine-2,3-dicarboxylic acid.
What is the SMILES notation for aziridine-2,3-dicarboxylic acid?
The canonical SMILES for aziridine-2,3-dicarboxylic acid is O=C(O)C1NC1C(=O)O.
What is the InChIKey of aziridine-2,3-dicarboxylic acid?
The InChIKey is IFCCPDAHQDGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9).
What are the key properties of aziridine-2,3-dicarboxylic acid?
aziridine-2,3-dicarboxylic acid has a molecular weight of 131.09 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine-2,3-dicarboxylic acid is sourced from PubChem (CID 22712963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).