3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride

C5H10ClNO4S — CID 19020781

IUPAC3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride
SMILESCl.NC1CCS(=O)(=O)C1C(=O)O
InChIInChI=1S/C5H9NO4S.ClH/c6-3-1-2-11(9,10)4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H
InChIKeyYHHIRTBHKNVUPC-UHFFFAOYSA-N
MW215.66 g/mol
LogP-0.99
Rot. Bonds1

About 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride

3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride (PubChem CID 19020781) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride
PubChem CID19020781
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Name3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride
SMILESCl.NC1CCS(=O)(=O)C1C(=O)O
InChIInChI=1S/C5H9NO4S.ClH/c6-3-1-2-11(9,10)4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H
InChIKeyYHHIRTBHKNVUPC-UHFFFAOYSA-N
XLogP-0.99
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride 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-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride (CID 19020781) is 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride is Cl.NC1CCS(=O)(=O)C1C(=O)O.
What is the InChIKey of 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride?
The InChIKey is YHHIRTBHKNVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S.ClH/c6-3-1-2-11(9,10)4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H.
What are the key properties of 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride?
3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride has a molecular weight of 215.66 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-dioxothiolane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 19020781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).