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

C9H16N2O3S — CID 66878900

IUPAC(4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC(C)(C)C1SC[C@@H](C(N)=O)N1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-9(2,3)7-11(8(13)14)5(4-15-7)6(10)12/h5,7H,4H2,1-3H3,(H2,10,12)(H,13,14)/t5-,7?/m0/s1
InChIKeyFAEJHNATWBHSRE-DSEUIKHZSA-N
MW232.31 g/mol
LogP0.94
Rot. Bonds1

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

(4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 66878900) has the molecular formula C9H16N2O3S and a molecular weight of 232.31 g/mol. Its IUPAC name is (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID66878900
Molecular FormulaC9H16N2O3S
Molecular Weight232.31 g/mol
Exact Mass232.09
IUPAC Name(4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC(C)(C)C1SC[C@@H](C(N)=O)N1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-9(2,3)7-11(8(13)14)5(4-15-7)6(10)12/h5,7H,4H2,1-3H3,(H2,10,12)(H,13,14)/t5-,7?/m0/s1
InChIKeyFAEJHNATWBHSRE-DSEUIKHZSA-N
XLogP0.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid (CID 66878900) is (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid is CC(C)(C)C1SC[C@@H](C(N)=O)N1C(=O)O.
What is the InChIKey of (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is FAEJHNATWBHSRE-DSEUIKHZSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(2,3)7-11(8(13)14)5(4-15-7)6(10)12/h5,7H,4H2,1-3H3,(H2,10,12)(H,13,14)/t5-,7?/m0/s1.
What are the key properties of (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid?
(4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 232.31 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 66878900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).