3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H18N2O4S — CID 79378331

IUPAC3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-10(2,16)5-11(3)9(15)12-6-17-4-7(12)8(13)14/h7,16H,4-6H2,1-3H3,(H,13,14)
InChIKeyFBXORHRSGGTOAY-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.27
Rot. Bonds3

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

3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79378331) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID79378331
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-10(2,16)5-11(3)9(15)12-6-17-4-7(12)8(13)14/h7,16H,4-6H2,1-3H3,(H,13,14)
InChIKeyFBXORHRSGGTOAY-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 79378331) is 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CN(CC(C)(C)O)C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FBXORHRSGGTOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-10(2,16)5-11(3)9(15)12-6-17-4-7(12)8(13)14/h7,16H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(2-hydroxy-2-methylpropyl)-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 3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79378331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).