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

C12H23NO2S — CID 67704629

IUPAC(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCC1(C(C)(C)C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C12H23NO2S/c1-5-6-7-12(11(2,3)4)13-9(8-16-12)10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)/t9-,12?/m0/s1
InChIKeyLEWXVFDJRMGRDR-QHGLUPRGSA-N
MW245.39 g/mol
LogP2.71
Rot. Bonds4

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

(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 67704629) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID67704629
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCC1(C(C)(C)C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C12H23NO2S/c1-5-6-7-12(11(2,3)4)13-9(8-16-12)10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)/t9-,12?/m0/s1
InChIKeyLEWXVFDJRMGRDR-QHGLUPRGSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid (CID 67704629) is (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid is CCCCC1(C(C)(C)C)N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LEWXVFDJRMGRDR-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-5-6-7-12(11(2,3)4)13-9(8-16-12)10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)/t9-,12?/m0/s1.
What are the key properties of (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 245.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 67704629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).