(2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

C7H13NO2S — CID 676489

IUPAC(2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC[C@@]1(C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S/c1-3-7(2)8-5(4-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-,7-/m0/s1
InChIKeyHKDAFCRJEPXVCP-FSPLSTOPSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds2

About (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

(2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 676489) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID676489
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC[C@@]1(C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S/c1-3-7(2)8-5(4-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-,7-/m0/s1
InChIKeyHKDAFCRJEPXVCP-FSPLSTOPSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 676489) is (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC[C@@]1(C)N[C@H](C(=O)O)CS1.
What is the InChIKey of (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HKDAFCRJEPXVCP-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-7(2)8-5(4-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-,7-/m0/s1.
What are the key properties of (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
(2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 676489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).