2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid

C10H19NO3S — CID 106676060

IUPAC2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid
SMILESCOC(C)(C)CC1NC(C(=O)O)CCS1
InChIInChI=1S/C10H19NO3S/c1-10(2,14-3)6-8-11-7(9(12)13)4-5-15-8/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFNERJBMLEZIYTL-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.31
Rot. Bonds4

About 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid

2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid (PubChem CID 106676060) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid
PubChem CID106676060
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid
SMILESCOC(C)(C)CC1NC(C(=O)O)CCS1
InChIInChI=1S/C10H19NO3S/c1-10(2,14-3)6-8-11-7(9(12)13)4-5-15-8/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFNERJBMLEZIYTL-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2-(2,2-dimethylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 93078392
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride
CID 121230879
2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid
CID 104575610
2-[[(2R)-2-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,3-thiazinane-4-carboxylic acid
CID 138108415
2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazinane-4-carboxylic acid
CID 80500647
2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500611
5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027
2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500725

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid (CID 106676060) is 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid is COC(C)(C)CC1NC(C(=O)O)CCS1.
What is the InChIKey of 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid?
The InChIKey is FNERJBMLEZIYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(2,14-3)6-8-11-7(9(12)13)4-5-15-8/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid?
2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid has a molecular weight of 233.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 106676060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).