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

C8H15NO4S — CID 103224633

IUPAC3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCS(=O)CC1
InChIInChI=1S/C8H15NO4S/c1-13-6-7(8(10)11)9-2-4-14(12)5-3-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYQNZNGBHVKZUIY-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.85
Rot. Bonds4

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

3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid (PubChem CID 103224633) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
PubChem CID103224633
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCS(=O)CC1
InChIInChI=1S/C8H15NO4S/c1-13-6-7(8(10)11)9-2-4-14(12)5-3-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYQNZNGBHVKZUIY-UHFFFAOYSA-N
XLogP-0.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxy-2-thiomorpholin-4-ylpropanoic acid
CID 21873279
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid
CID 66166432
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid
CID 101258440
(2S,3R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxybutanoic acid
CID 101258441
1-Oxo-4-propan-2-yl-1,4-thiazinane-3-carboxylic acid
CID 118118278
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-hydroxybutanoic acid
CID 130887159
methyl (2S,3R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxybutanoate
CID 154680350
methyl (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate
CID 154680394
Methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate
CID 154680439
methyl (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate
CID 154680471
methyl (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxybutanoate
CID 154680474
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid
CID 155059537

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The IUPAC name of 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid (CID 103224633) is 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The canonical SMILES for 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid is COCC(C(=O)O)N1CCS(=O)CC1.
What is the InChIKey of 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The InChIKey is YQNZNGBHVKZUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-13-6-7(8(10)11)9-2-4-14(12)5-3-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid has a molecular weight of 221.28 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid is sourced from PubChem (CID 103224633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).