(4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid

C9H15NO3S — CID 131972825

IUPAC(4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(=O)N1[C@H](C(=O)O)CSC1(C)C
InChIInChI=1S/C9H15NO3S/c1-4-7(11)10-6(8(12)13)5-14-9(10,2)3/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyPDCGNJVVXJRYOY-LURJTMIESA-N
MW217.29 g/mol
LogP1.16
Rot. Bonds2

About (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid

(4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 131972825) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID131972825
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name(4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(=O)N1[C@H](C(=O)O)CSC1(C)C
InChIInChI=1S/C9H15NO3S/c1-4-7(11)10-6(8(12)13)5-14-9(10,2)3/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyPDCGNJVVXJRYOY-LURJTMIESA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid (CID 131972825) is (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid is CCC(=O)N1[C@H](C(=O)O)CSC1(C)C.
What is the InChIKey of (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PDCGNJVVXJRYOY-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO3S/c1-4-7(11)10-6(8(12)13)5-14-9(10,2)3/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 217.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 131972825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).