2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid

C6H9NO4S — CID 84663148

IUPAC2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CS(=O)(=O)C2
InChIInChI=1S/C6H9NO4S/c7-6(4(8)9)1-5(6)2-12(10,11)3-5/h1-3,7H2,(H,8,9)
InChIKeyULRZIOWHTCGUOH-UHFFFAOYSA-N
MW191.21 g/mol
LogP-1.41
Rot. Bonds1

About 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid

2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid (PubChem CID 84663148) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid
PubChem CID84663148
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CS(=O)(=O)C2
InChIInChI=1S/C6H9NO4S/c7-6(4(8)9)1-5(6)2-12(10,11)3-5/h1-3,7H2,(H,8,9)
InChIKeyULRZIOWHTCGUOH-UHFFFAOYSA-N
XLogP-1.41
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid?
The IUPAC name of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid (CID 84663148) is 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid.
What is the SMILES notation for 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid?
The canonical SMILES for 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid is NC1(C(=O)O)CC12CS(=O)(=O)C2.
What is the InChIKey of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid?
The InChIKey is ULRZIOWHTCGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4S/c7-6(4(8)9)1-5(6)2-12(10,11)3-5/h1-3,7H2,(H,8,9).
What are the key properties of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid?
2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid has a molecular weight of 191.21 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dioxo-5λ6-thiaspiro[2.3]hexane-2-carboxylic acid is sourced from PubChem (CID 84663148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).