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

C11H18N2O6S — CID 102885046

IUPAC4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1CC(O)CC1C(=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)
InChIKeyLCXVHDHXLASJGN-UHFFFAOYSA-N
MW306.34 g/mol
LogP-1.25
Rot. Bonds1

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

4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102885046) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102885046
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1CC(O)CC1C(=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)
InChIKeyLCXVHDHXLASJGN-UHFFFAOYSA-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

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Related Compounds

(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885024
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842866
(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405
(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
CID 102885151
7-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 102885025
(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713072
(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939777
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61205229
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 102883074
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 102885046) is 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid is CC1CS(=O)(=O)CCN1C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LCXVHDHXLASJGN-UHFFFAOYSA-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).
What are the key properties of 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
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 4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102885046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).