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

C11H11NO4S — CID 739068

IUPAC(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)c1ccccc1[C@@H]1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C11H11NO4S/c13-10(14)7-4-2-1-3-6(7)9-12-8(5-17-9)11(15)16/h1-4,8-9,12H,5H2,(H,13,14)(H,15,16)/t8-,9-/m1/s1
InChIKeyBBGKHXCXWMNFPK-RKDXNWHRSA-N
MW253.28 g/mol
LogP1.17
Rot. Bonds3

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

(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 739068) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID739068
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)c1ccccc1[C@@H]1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C11H11NO4S/c13-10(14)7-4-2-1-3-6(7)9-12-8(5-17-9)11(15)16/h1-4,8-9,12H,5H2,(H,13,14)(H,15,16)/t8-,9-/m1/s1
InChIKeyBBGKHXCXWMNFPK-RKDXNWHRSA-N
XLogP1.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 3141767
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270178
(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 43831490
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 22827572
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491
(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146788
(2S,4S)-2-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728174
(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107773712
(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40649091

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 739068) is (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)c1ccccc1[C@@H]1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BBGKHXCXWMNFPK-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H11NO4S/c13-10(14)7-4-2-1-3-6(7)9-12-8(5-17-9)11(15)16/h1-4,8-9,12H,5H2,(H,13,14)(H,15,16)/t8-,9-/m1/s1.
What are the key properties of (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 739068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).