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

C14H19NO4S — CID 703230

IUPAC(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1OCC
InChIInChI=1S/C14H19NO4S/c1-3-18-11-6-5-9(7-12(11)19-4-2)13-15-10(8-20-13)14(16)17/h5-7,10,13,15H,3-4,8H2,1-2H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyCJYQDKYTDWQPDL-GWCFXTLKSA-N
MW297.38 g/mol
LogP2.27
Rot. Bonds6

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

(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 703230) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID703230
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1OCC
InChIInChI=1S/C14H19NO4S/c1-3-18-11-6-5-9(7-12(11)19-4-2)13-15-10(8-20-13)14(16)17/h5-7,10,13,15H,3-4,8H2,1-2H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyCJYQDKYTDWQPDL-GWCFXTLKSA-N
XLogP2.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 40651095
(2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 40651093
(2R,4R)-2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044863
(2R,4S)-2-[3-ethoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 40651099
(2R,4S)-2-(4-benzoyloxy-3-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7280010
2-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 17026692
(2R,4R)-2-(4-benzoyloxy-3-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7280005
(2S,4S)-2-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1088908
2-[3-ethoxy-4-(thiophene-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3753643
(2S,4R)-2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1273842
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
2-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 4118392

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 703230) is (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is CCOc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1OCC.
What is the InChIKey of (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CJYQDKYTDWQPDL-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-18-11-6-5-9(7-12(11)19-4-2)13-15-10(8-20-13)14(16)17/h5-7,10,13,15H,3-4,8H2,1-2H3,(H,16,17)/t10-,13-/m0/s1.
What are the key properties of (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 703230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).