(4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid

C5H9NO5S — CID 130227288

IUPAC(4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid
SMILESCOC[C@H]1COS(=O)N1C(=O)O
InChIInChI=1S/C5H9NO5S/c1-10-2-4-3-11-12(9)6(4)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-,12?/m0/s1
InChIKeyUPOLCWCQCYEDEL-IVYIZSHTSA-N
MW195.20 g/mol
LogP-0.41
Rot. Bonds2

About (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid

(4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid (PubChem CID 130227288) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid
PubChem CID130227288
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Name(4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid
SMILESCOC[C@H]1COS(=O)N1C(=O)O
InChIInChI=1S/C5H9NO5S/c1-10-2-4-3-11-12(9)6(4)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-,12?/m0/s1
InChIKeyUPOLCWCQCYEDEL-IVYIZSHTSA-N
XLogP-0.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylate
CID 122604290
(4S)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]oxathiazolidine-3-carboxylic acid
CID 174048892
(2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid
CID 123995770
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
1-[2-(methoxymethyl)azetidin-1-yl]ethanone
CID 176625607
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
(2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide
CID 15358999
(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid
CID 174172845
2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 155944065
(3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide
CID 90927663
[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68949600
tert-butyl 2,2-dihydroxy-4-(methoxymethyl)oxathiazolidine-3-carboxylate
CID 170585109

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid (CID 130227288) is (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid is COC[C@H]1COS(=O)N1C(=O)O.
What is the InChIKey of (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid?
The InChIKey is UPOLCWCQCYEDEL-IVYIZSHTSA-N. The full InChI is InChI=1S/C5H9NO5S/c1-10-2-4-3-11-12(9)6(4)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-,12?/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid?
(4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylic acid is sourced from PubChem (CID 130227288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).