(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H18N2O4S — CID 104864060

IUPAC(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C(=O)N1CSC[C@H]1C(=O)O)C(C)(C)CO
InChIInChI=1S/C10H18N2O4S/c1-10(2,5-13)11(3)9(16)12-6-17-4-7(12)8(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeySDGSTASOVZATGR-ZETCQYMHSA-N
MW262.33 g/mol
LogP0.27
Rot. Bonds3

About (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104864060) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID104864060
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C(=O)N1CSC[C@H]1C(=O)O)C(C)(C)CO
InChIInChI=1S/C10H18N2O4S/c1-10(2,5-13)11(3)9(16)12-6-17-4-7(12)8(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeySDGSTASOVZATGR-ZETCQYMHSA-N
XLogP0.27
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-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-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204589
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
(4R)-3-[cyclopropyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55001025
(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54995462
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79864242
3-[ethyl(2-ethylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61437582
3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54969155
3-[butan-2-yl(butyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55004481
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688405
(4R)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55003404

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 104864060) is (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CN(C(=O)N1CSC[C@H]1C(=O)O)C(C)(C)CO.
What is the InChIKey of (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SDGSTASOVZATGR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-10(2,5-13)11(3)9(16)12-6-17-4-7(12)8(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104864060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).