(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

C18H19NO7S — CID 7308785

IUPAC(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)c1ccc(COc2cc([C@@H]3N[C@H](C(=O)O)CS3)ccc2OC)o1
InChIInChI=1S/C18H19NO7S/c1-23-13-5-3-10(16-19-12(9-27-16)17(20)21)7-15(13)25-8-11-4-6-14(26-11)18(22)24-2/h3-7,12,16,19H,8-9H2,1-2H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyFIPADAZMPRRARW-BLLLJJGKSA-N
MW393.42 g/mol
LogP2.44
Rot. Bonds7

About (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 7308785) has the molecular formula C18H19NO7S and a molecular weight of 393.42 g/mol. Its IUPAC name is (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID7308785
Molecular FormulaC18H19NO7S
Molecular Weight393.42 g/mol
Exact Mass393.09
IUPAC Name(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)c1ccc(COc2cc([C@@H]3N[C@H](C(=O)O)CS3)ccc2OC)o1
InChIInChI=1S/C18H19NO7S/c1-23-13-5-3-10(16-19-12(9-27-16)17(20)21)7-15(13)25-8-11-4-6-14(26-11)18(22)24-2/h3-7,12,16,19H,8-9H2,1-2H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyFIPADAZMPRRARW-BLLLJJGKSA-N
XLogP2.44
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19577907
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230
(2R,4R)-2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044863
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 721363
(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
(2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 40651093

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 7308785) is (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is COC(=O)c1ccc(COc2cc([C@@H]3N[C@H](C(=O)O)CS3)ccc2OC)o1.
What is the InChIKey of (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FIPADAZMPRRARW-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H19NO7S/c1-23-13-5-3-10(16-19-12(9-27-16)17(20)21)7-15(13)25-8-11-4-6-14(26-11)18(22)24-2/h3-7,12,16,19H,8-9H2,1-2H3,(H,20,21)/t12-,16+/m0/s1.
What are the key properties of (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 7308785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).