3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid

C9H17NO4S — CID 82239376

IUPAC3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
SMILESCOCC(C)(C(=O)O)N1CCS(=O)CC1
InChIInChI=1S/C9H17NO4S/c1-9(7-14-2,8(11)12)10-3-5-15(13)6-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyMVJFAIMOZMHFNJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.46
Rot. Bonds4

About 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid

3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid (PubChem CID 82239376) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
PubChem CID82239376
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
SMILESCOCC(C)(C(=O)O)N1CCS(=O)CC1
InChIInChI=1S/C9H17NO4S/c1-9(7-14-2,8(11)12)10-3-5-15(13)6-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyMVJFAIMOZMHFNJ-UHFFFAOYSA-N
XLogP-0.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-3-methoxy-2-methylpropanoic acid
CID 62535285
3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
CID 62534902
2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid
CID 115000899
2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid
CID 82239374
2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 150543821
4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide
CID 70270123
4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid
CID 115000019
2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid
CID 82239395
3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 103224633
4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid
CID 43803216
2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 66174891
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid (CID 82239376) is 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid is COCC(C)(C(=O)O)N1CCS(=O)CC1.
What is the InChIKey of 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The InChIKey is MVJFAIMOZMHFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-9(7-14-2,8(11)12)10-3-5-15(13)6-4-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid has a molecular weight of 235.30 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid is sourced from PubChem (CID 82239376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).