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

C17H17NO3S — CID 22827572

IUPAC(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccccc2OCc2ccccc2)N1
InChIInChI=1S/C17H17NO3S/c19-17(20)14-11-22-16(18-14)13-8-4-5-9-15(13)21-10-12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2,(H,19,20)/t14-,16?/m0/s1
InChIKeyBJFUKTAYLUOPFA-LBAUFKAWSA-N
MW315.39 g/mol
LogP3.05
Rot. Bonds5

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

(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 22827572) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID22827572
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccccc2OCc2ccccc2)N1
InChIInChI=1S/C17H17NO3S/c19-17(20)14-11-22-16(18-14)13-8-4-5-9-15(13)21-10-12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2,(H,19,20)/t14-,16?/m0/s1
InChIKeyBJFUKTAYLUOPFA-LBAUFKAWSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
2-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 24697394
(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 43831490
(2R,4R)-2-(3,5-diiodo-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7567923
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
2-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 17052792
2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270178
(2R,4R)-2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044863
(2S,4S)-2-(5-bromo-2-prop-2-ynoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2275721
(2S,4R)-2-(5-chloro-2-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 817643
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 22827572) is (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2ccccc2OCc2ccccc2)N1.
What is the InChIKey of (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BJFUKTAYLUOPFA-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-17(20)14-11-22-16(18-14)13-8-4-5-9-15(13)21-10-12-6-2-1-3-7-12/h1-9,14,16,18H,10-11H2,(H,19,20)/t14-,16?/m0/s1.
What are the key properties of (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 22827572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).