(2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid

C9H15NO3S — CID 57203197

IUPAC(2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC(C)(C)[C@H]1SCC(C=O)N1C(=O)O
InChIInChI=1S/C9H15NO3S/c1-9(2,3)7-10(8(12)13)6(4-11)5-14-7/h4,6-7H,5H2,1-3H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyULNNMLPBOUQPNY-COBSHVIPSA-N
MW217.29 g/mol
LogP1.65
Rot. Bonds1

About (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid

(2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 57203197) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID57203197
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name(2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC(C)(C)[C@H]1SCC(C=O)N1C(=O)O
InChIInChI=1S/C9H15NO3S/c1-9(2,3)7-10(8(12)13)6(4-11)5-14-7/h4,6-7H,5H2,1-3H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyULNNMLPBOUQPNY-COBSHVIPSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid (CID 57203197) is (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid is CC(C)(C)[C@H]1SCC(C=O)N1C(=O)O.
What is the InChIKey of (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is ULNNMLPBOUQPNY-COBSHVIPSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-9(2,3)7-10(8(12)13)6(4-11)5-14-7/h4,6-7H,5H2,1-3H3,(H,12,13)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid?
(2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 217.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 57203197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).