(5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid

C4H7NO5S — CID 87319943

IUPAC(5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)S(=O)(=O)O1
InChIInChI=1S/C4H7NO5S/c1-3-2-5(4(6)7)11(8,9)10-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyLEYGSKCNBPBVSJ-VKHMYHEASA-N
MW181.17 g/mol
LogP-0.37
Rot. Bonds

About (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid

(5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid (PubChem CID 87319943) has the molecular formula C4H7NO5S and a molecular weight of 181.17 g/mol. Its IUPAC name is (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid
PubChem CID87319943
Molecular FormulaC4H7NO5S
Molecular Weight181.17 g/mol
Exact Mass181.00
IUPAC Name(5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)S(=O)(=O)O1
InChIInChI=1S/C4H7NO5S/c1-3-2-5(4(6)7)11(8,9)10-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyLEYGSKCNBPBVSJ-VKHMYHEASA-N
XLogP-0.37
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (5R)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
CID 86612930
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
4-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid
CID 22563355
2,2-dioxooxathiazolidine-3-carboxylic acid
CID 22338137
4,6-dimethylmorpholine-2-carboxylic acid
CID 84716691
azane;carbonic acid;2-methyloxirane
CID 174941118
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 22683272
3-methylsulfanylazetidine-1-carboxylic acid
CID 118168697
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
4,6-dimethyloxathiane 2,2-dioxide
CID 88890246

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid?
The IUPAC name of (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid (CID 87319943) is (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid.
What is the SMILES notation for (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid?
The canonical SMILES for (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid is C[C@H]1CN(C(=O)O)S(=O)(=O)O1.
What is the InChIKey of (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid?
The InChIKey is LEYGSKCNBPBVSJ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO5S/c1-3-2-5(4(6)7)11(8,9)10-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid?
(5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid has a molecular weight of 181.17 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylic acid is sourced from PubChem (CID 87319943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).