2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid

C7H11NO4S — CID 84673156

IUPAC2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CCS(=O)(=O)C2
InChIInChI=1S/C7H11NO4S/c8-7(5(9)10)3-6(7)1-2-13(11,12)4-6/h1-4,8H2,(H,9,10)
InChIKeyUPTVKJBWAVOHHD-UHFFFAOYSA-N
MW205.23 g/mol
LogP-1.02
Rot. Bonds1

About 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid

2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid (PubChem CID 84673156) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid
PubChem CID84673156
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CCS(=O)(=O)C2
InChIInChI=1S/C7H11NO4S/c8-7(5(9)10)3-6(7)1-2-13(11,12)4-6/h1-4,8H2,(H,9,10)
InChIKeyUPTVKJBWAVOHHD-UHFFFAOYSA-N
XLogP-1.02
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,4S,5S)-4-amino-2,2-dioxo-2lambda6-thiabicyclo[3.1.0]hexane-4-carboxylic acid
CID 58403736
(1S,4S,5S)-4-amino-2,2-dioxo-2lambda6-thiabicyclo[3.1.0]hexane-4-carboxylic acid;carbon dioxide
CID 160568601
2-Amino-5-thiaspiro[2.4]heptane-2-carboxylic acid
CID 84654690
2-Amino-5,5-dioxo-5lambda6-thiaspiro[2.3]hexane-2-carboxylic acid
CID 84663148
Methyl 2-amino-5,5-dioxo-5lambda6-thiaspiro[2.4]heptane-2-carboxylate
CID 84684680
2-Amino-5,5-dioxo-5lambda6-thiaspiro[2.5]octane-2-carboxylic acid
CID 84684682
2-Amino-6,6-dioxo-6lambda6-thiaspiro[2.5]octane-2-carboxylic acid
CID 84684683
2-Amino-2-[1-(1,1-dioxo-1lambda6-thiolan-3-yl)cyclopropyl]acetic acid
CID 165722197
2-Amino-2-[1-(2,2-dimethyl-1,1-dioxo-1lambda6-thiolan-3-yl)cyclopropyl]acetic acid
CID 165762215

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid?
The IUPAC name of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid (CID 84673156) is 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid.
What is the SMILES notation for 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid?
The canonical SMILES for 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid is NC1(C(=O)O)CC12CCS(=O)(=O)C2.
What is the InChIKey of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid?
The InChIKey is UPTVKJBWAVOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c8-7(5(9)10)3-6(7)1-2-13(11,12)4-6/h1-4,8H2,(H,9,10).
What are the key properties of 2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid?
2-amino-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-2-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -1.02, 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[2.4]heptane-2-carboxylic acid is sourced from PubChem (CID 84673156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).