3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C10H17NO3S — CID 21397240

IUPAC3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SC(C)(C)C(C(=O)O)N1C=O
InChIInChI=1S/C10H17NO3S/c1-6(2)8-11(5-12)7(9(13)14)10(3,4)15-8/h5-8H,1-4H3,(H,13,14)
InChIKeyNNKDVNRMGADQMN-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.41
Rot. Bonds3

About 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 21397240) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID21397240
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SC(C)(C)C(C(=O)O)N1C=O
InChIInChI=1S/C10H17NO3S/c1-6(2)8-11(5-12)7(9(13)14)10(3,4)15-8/h5-8H,1-4H3,(H,13,14)
InChIKeyNNKDVNRMGADQMN-UHFFFAOYSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid
CID 96612
3-Formyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 2786994
3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
CID 2787434
3-(2-Acetylsulfanyl-propionyl)-2,2,5,5-tetramethyl-thiazolidine-4-carboxylic acid
CID 13599155
3-(2-Mercapto-propionyl)-2,2,5,5-tetramethyl-thiazolidine-4-carboxylic acid
CID 13599159
(S)-3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid
CID 2777928
3-Formyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 99971
(4R)-3-(2-Methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 53216162
3-Formyl-2,2,5,5-tetramethyl-thiazolidine-4-carboxylic acid
CID 176468494
methyl (2R,4R)-2-tert-butyl-4-ethyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 21728024
(R)-3-Formyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 724082
methyl (2R,4S)-2-tert-butyl-4-ethyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 134918618

Frequently Asked Questions

What is the IUPAC name of 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 21397240) is 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SC(C)(C)C(C(=O)O)N1C=O.
What is the InChIKey of 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NNKDVNRMGADQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-6(2)8-11(5-12)7(9(13)14)10(3,4)15-8/h5-8H,1-4H3,(H,13,14).
What are the key properties of 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 21397240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).