(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid

C11H18N2O6S — CID 102885024

IUPAC(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O6S/c1-7-6-20(18,19)3-2-12(7)11(17)13-5-8(14)4-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)/t7?,8-,9-/m1/s1
InChIKeyLCXVHDHXLASJGN-CFCGPWAMSA-N
MW306.34 g/mol
LogP-1.25
Rot. Bonds1

About (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102885024) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102885024
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O6S/c1-7-6-20(18,19)3-2-12(7)11(17)13-5-8(14)4-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)/t7?,8-,9-/m1/s1
InChIKeyLCXVHDHXLASJGN-CFCGPWAMSA-N
XLogP-1.25
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 102885024) is (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid is CC1CS(=O)(=O)CCN1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LCXVHDHXLASJGN-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H18N2O6S/c1-7-6-20(18,19)3-2-12(7)11(17)13-5-8(14)4-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)/t7?,8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102885024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).