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

C5H9NO2S — CID 2724963

IUPAC(4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C5H9NO2S/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m1/s1
InChIKeyFHTPNEYXMGZOSH-SRBOSORUSA-N
MW147.20 g/mol
LogP0.12
Rot. Bonds1

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

(4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2724963) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID2724963
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C5H9NO2S/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m1/s1
InChIKeyFHTPNEYXMGZOSH-SRBOSORUSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 2724963) is (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FHTPNEYXMGZOSH-SRBOSORUSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m1/s1.
What are the key properties of (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 147.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2724963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).