3-oxido-5-phenyltriazolidine-4-carboxylic acid

C9H10N3O3- — CID 86228568

IUPAC3-oxido-5-phenyltriazolidine-4-carboxylic acid
SMILESO=C(O)C1C(c2ccccc2)NNN1[O-]
InChIInChI=1S/C9H10N3O3/c13-9(14)8-7(10-11-12(8)15)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,13,14)/q-1
InChIKeyWSODMNWRNFZKCN-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.00
Rot. Bonds2

About 3-oxido-5-phenyltriazolidine-4-carboxylic acid

3-oxido-5-phenyltriazolidine-4-carboxylic acid (PubChem CID 86228568) has the molecular formula C9H10N3O3- and a molecular weight of 208.20 g/mol. Its IUPAC name is 3-oxido-5-phenyltriazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-oxido-5-phenyltriazolidine-4-carboxylic acid
PubChem CID86228568
Molecular FormulaC9H10N3O3-
Molecular Weight208.20 g/mol
Exact Mass208.07
IUPAC Name3-oxido-5-phenyltriazolidine-4-carboxylic acid
SMILESO=C(O)C1C(c2ccccc2)NNN1[O-]
InChIInChI=1S/C9H10N3O3/c13-9(14)8-7(10-11-12(8)15)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,13,14)/q-1
InChIKeyWSODMNWRNFZKCN-UHFFFAOYSA-N
XLogP0.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxido-5-phenyltriazolidine-4-carboxylic acid?
The IUPAC name of 3-oxido-5-phenyltriazolidine-4-carboxylic acid (CID 86228568) is 3-oxido-5-phenyltriazolidine-4-carboxylic acid.
What is the SMILES notation for 3-oxido-5-phenyltriazolidine-4-carboxylic acid?
The canonical SMILES for 3-oxido-5-phenyltriazolidine-4-carboxylic acid is O=C(O)C1C(c2ccccc2)NNN1[O-].
What is the InChIKey of 3-oxido-5-phenyltriazolidine-4-carboxylic acid?
The InChIKey is WSODMNWRNFZKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3O3/c13-9(14)8-7(10-11-12(8)15)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,13,14)/q-1.
What are the key properties of 3-oxido-5-phenyltriazolidine-4-carboxylic acid?
3-oxido-5-phenyltriazolidine-4-carboxylic acid has a molecular weight of 208.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-5-phenyltriazolidine-4-carboxylic acid is sourced from PubChem (CID 86228568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).