(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

C12H13NO5S — CID 51390894

IUPAC(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C12H13NO5S/c14-10(15)5-18-8-3-1-7(2-4-8)11-13-9(6-19-11)12(16)17/h1-4,9,11,13H,5-6H2,(H,14,15)(H,16,17)/t9-,11+/m0/s1
InChIKeyZXOHIHGUNPSEOF-GXSJLCMTSA-N
MW283.31 g/mol
LogP0.94
Rot. Bonds5

About (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 51390894) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID51390894
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC Name(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C12H13NO5S/c14-10(15)5-18-8-3-1-7(2-4-8)11-13-9(6-19-11)12(16)17/h1-4,9,11,13H,5-6H2,(H,14,15)(H,16,17)/t9-,11+/m0/s1
InChIKeyZXOHIHGUNPSEOF-GXSJLCMTSA-N
XLogP0.94
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
(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-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1273319
(2S,4S)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044848
(4R)-2-[4-[2-(octadecylamino)ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279068
2-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 17026692
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230
(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7045930
(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11242572
(2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 25072171

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 51390894) is (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1.
What is the InChIKey of (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZXOHIHGUNPSEOF-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H13NO5S/c14-10(15)5-18-8-3-1-7(2-4-8)11-13-9(6-19-11)12(16)17/h1-4,9,11,13H,5-6H2,(H,14,15)(H,16,17)/t9-,11+/m0/s1.
What are the key properties of (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 51390894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).