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

C11H13NO3S — CID 12915701

IUPAC(4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccccc1C1N[C@H](C(=O)O)CS1
InChIInChI=1S/C11H13NO3S/c1-15-9-5-3-2-4-7(9)10-12-8(6-16-10)11(13)14/h2-5,8,10,12H,6H2,1H3,(H,13,14)/t8-,10?/m0/s1
InChIKeyLEVUYFUCJRHCNR-PEHGTWAWSA-N
MW239.30 g/mol
LogP1.48
Rot. Bonds3

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

(4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 12915701) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID12915701
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccccc1C1N[C@H](C(=O)O)CS1
InChIInChI=1S/C11H13NO3S/c1-15-9-5-3-2-4-7(9)10-12-8(6-16-10)11(13)14/h2-5,8,10,12H,6H2,1H3,(H,13,14)/t8-,10?/m0/s1
InChIKeyLEVUYFUCJRHCNR-PEHGTWAWSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 327594
(4R)-2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 13946769
2-(2-Methoxyphenyl)-1,3-thiazolidine
CID 218556
2-{4-Methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-1,3-thiazolidine-4-carboxylic acid
CID 3242869
3-Mercapto-2-(4-methoxy-benzylamino)-propionic acid
CID 11021047
2-(2-Hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 327595
2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 327596
2-[4-(2-Ethoxy-2-oxoethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3245693
2-(4-Methoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 5309963
2-[4-(3-Piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 46880387
2-(2-Methoxyphenyl)-1,3-thiazolidin-4-one
CID 3411758
2-{4-[(4-Fluorobenzyl)oxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
CID 573377

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 12915701) is (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccccc1C1N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LEVUYFUCJRHCNR-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-15-9-5-3-2-4-7(9)10-12-8(6-16-10)11(13)14/h2-5,8,10,12H,6H2,1H3,(H,13,14)/t8-,10?/m0/s1.
What are the key properties of (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 12915701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).