3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O5S — CID 81194262

IUPAC3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H22N2O5S/c1-8(2)11-15(10(7-21-11)12(17)18)13(19)14-3-4-20-9(5-14)6-16/h8-11,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyGPODQRIRQMTDEG-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.28
Rot. Bonds3

About 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 81194262) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID81194262
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H22N2O5S/c1-8(2)11-15(10(7-21-11)12(17)18)13(19)14-3-4-20-9(5-14)6-16/h8-11,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyGPODQRIRQMTDEG-UHFFFAOYSA-N
XLogP0.28
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-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

Related Compounds

3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780721
3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781851
1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 81204434
3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 103357144
3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781031
3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780737
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66335399
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
3-[4-(methylamino)butanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235899
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 81194262) is 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)N1CCOC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GPODQRIRQMTDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-8(2)11-15(10(7-21-11)12(17)18)13(19)14-3-4-20-9(5-14)6-16/h8-11,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 81194262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).