(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid

C9H15NO3S — CID 62386285

IUPAC(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(C2CCOCC2)N1
InChIInChI=1S/C9H15NO3S/c11-9(12)7-5-14-8(10-7)6-1-3-13-4-2-6/h6-8,10H,1-5H2,(H,11,12)/t7-,8?/m0/s1
InChIKeyGNGZRMMEOSFJAG-JAMMHHFISA-N
MW217.29 g/mol
LogP0.53
Rot. Bonds2

About (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62386285) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62386285
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(C2CCOCC2)N1
InChIInChI=1S/C9H15NO3S/c11-9(12)7-5-14-8(10-7)6-1-3-13-4-2-6/h6-8,10H,1-5H2,(H,11,12)/t7-,8?/m0/s1
InChIKeyGNGZRMMEOSFJAG-JAMMHHFISA-N
XLogP0.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 62386285) is (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(C2CCOCC2)N1.
What is the InChIKey of (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GNGZRMMEOSFJAG-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15NO3S/c11-9(12)7-5-14-8(10-7)6-1-3-13-4-2-6/h6-8,10H,1-5H2,(H,11,12)/t7-,8?/m0/s1.
What are the key properties of (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 217.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62386285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).