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

C14H17NO6S — CID 40651093

IUPAC(2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCC(=O)O
InChIInChI=1S/C14H17NO6S/c1-2-20-11-5-8(3-4-10(11)21-6-12(16)17)13-15-9(7-22-13)14(18)19/h3-5,9,13,15H,2,6-7H2,1H3,(H,16,17)(H,18,19)/t9-,13-/m0/s1
InChIKeySUTDFODCQZJZEB-ZANVPECISA-N
MW327.36 g/mol
LogP1.34
Rot. Bonds7

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

(2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 40651093) has the molecular formula C14H17NO6S and a molecular weight of 327.36 g/mol. Its IUPAC name is (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID40651093
Molecular FormulaC14H17NO6S
Molecular Weight327.36 g/mol
Exact Mass327.08
IUPAC Name(2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCC(=O)O
InChIInChI=1S/C14H17NO6S/c1-2-20-11-5-8(3-4-10(11)21-6-12(16)17)13-15-9(7-22-13)14(18)19/h3-5,9,13,15H,2,6-7H2,1H3,(H,16,17)(H,18,19)/t9-,13-/m0/s1
InChIKeySUTDFODCQZJZEB-ZANVPECISA-N
XLogP1.34
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 40651095
(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-ethoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 40651099
(2R,4S)-2-(4-benzoyloxy-3-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7280010
2-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 17026692
(2R,4R)-2-(4-benzoyloxy-3-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7280005
(2S,4S)-2-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1088908
2-[3-ethoxy-4-(thiophene-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3753643
(2S,4R)-2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1273842
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (CID 40651093) is (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCC(=O)O.
What is the InChIKey of (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SUTDFODCQZJZEB-ZANVPECISA-N. The full InChI is InChI=1S/C14H17NO6S/c1-2-20-11-5-8(3-4-10(11)21-6-12(16)17)13-15-9(7-22-13)14(18)19/h3-5,9,13,15H,2,6-7H2,1H3,(H,16,17)(H,18,19)/t9-,13-/m0/s1.
What are the key properties of (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
(2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 40651093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).