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

C4H5NO3S — CID 7075248

IUPAC(4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m1/s1
InChIKeyBMLMGCPTLHPWPY-UWTATZPHSA-N
MW147.16 g/mol
LogP-0.10
Rot. Bonds1

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

(4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid (PubChem CID 7075248) has the molecular formula C4H5NO3S and a molecular weight of 147.16 g/mol. Its IUPAC name is (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid
PubChem CID7075248
Molecular FormulaC4H5NO3S
Molecular Weight147.16 g/mol
Exact Mass147.00
IUPAC Name(4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m1/s1
InChIKeyBMLMGCPTLHPWPY-UWTATZPHSA-N
XLogP-0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid (CID 7075248) is (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid is O=C1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BMLMGCPTLHPWPY-UWTATZPHSA-N. The full InChI is InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m1/s1.
What are the key properties of (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 147.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 7075248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).