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

C10H11NO3S — CID 6708491

IUPAC(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2cccc(O)c2)N1
InChIInChI=1S/C10H11NO3S/c12-7-3-1-2-6(4-7)9-11-8(5-15-9)10(13)14/h1-4,8-9,11-12H,5H2,(H,13,14)/t8-,9?/m0/s1
InChIKeyFJKZSYINEIIGCM-IENPIDJESA-N
MW225.27 g/mol
LogP1.18
Rot. Bonds2

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

(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 6708491) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID6708491
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2cccc(O)c2)N1
InChIInChI=1S/C10H11NO3S/c12-7-3-1-2-6(4-7)9-11-8(5-15-9)10(13)14/h1-4,8-9,11-12H,5H2,(H,13,14)/t8-,9?/m0/s1
InChIKeyFJKZSYINEIIGCM-IENPIDJESA-N
XLogP1.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 6708491) is (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2cccc(O)c2)N1.
What is the InChIKey of (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FJKZSYINEIIGCM-IENPIDJESA-N. The full InChI is InChI=1S/C10H11NO3S/c12-7-3-1-2-6(4-7)9-11-8(5-15-9)10(13)14/h1-4,8-9,11-12H,5H2,(H,13,14)/t8-,9?/m0/s1.
What are the key properties of (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 6708491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).