2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid

C8H13NO4S — CID 84684682

IUPAC2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CCCS(=O)(=O)C2
InChIInChI=1S/C8H13NO4S/c9-8(6(10)11)4-7(8)2-1-3-14(12,13)5-7/h1-5,9H2,(H,10,11)
InChIKeyWWHNFZQKEDAKNW-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.63
Rot. Bonds1

About 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid

2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid (PubChem CID 84684682) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid
PubChem CID84684682
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CCCS(=O)(=O)C2
InChIInChI=1S/C8H13NO4S/c9-8(6(10)11)4-7(8)2-1-3-14(12,13)5-7/h1-5,9H2,(H,10,11)
InChIKeyWWHNFZQKEDAKNW-UHFFFAOYSA-N
XLogP-0.63
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.63
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[2.5]octane-2-carboxylic acid?
The IUPAC name of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid (CID 84684682) is 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid is NC1(C(=O)O)CC12CCCS(=O)(=O)C2.
What is the InChIKey of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is WWHNFZQKEDAKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c9-8(6(10)11)4-7(8)2-1-3-14(12,13)5-7/h1-5,9H2,(H,10,11).
What are the key properties of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid?
2-amino-5,5-dioxo-5λ6-thiaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of -0.63, 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[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 84684682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).