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

C12H15NO4S — CID 6610558

IUPAC(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2N[C@H](C(=O)O)CS2)cc1OC
InChIInChI=1S/C12H15NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)/t8-,11?/m0/s1
InChIKeyVVYKDOVBUSRSCZ-YMNIQAILSA-N
MW269.32 g/mol
LogP1.49
Rot. Bonds4

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

(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 6610558) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID6610558
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2N[C@H](C(=O)O)CS2)cc1OC
InChIInChI=1S/C12H15NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)/t8-,11?/m0/s1
InChIKeyVVYKDOVBUSRSCZ-YMNIQAILSA-N
XLogP1.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 721363
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 689537
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 61147260
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 19576217
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
2-[3-methoxy-4-(naphthalene-1-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3841463
(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-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 6610558) is (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2N[C@H](C(=O)O)CS2)cc1OC.
What is the InChIKey of (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VVYKDOVBUSRSCZ-YMNIQAILSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)/t8-,11?/m0/s1.
What are the key properties of (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 6610558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).