(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid

C8H13NO5S — CID 70680592

IUPAC(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid
SMILESC[C@@H](O)[C@@H](C(=O)O)[C@@H]1NC(C(=O)O)CS1
InChIInChI=1S/C8H13NO5S/c1-3(10)5(8(13)14)6-9-4(2-15-6)7(11)12/h3-6,9-10H,2H2,1H3,(H,11,12)(H,13,14)/t3-,4?,5-,6-/m1/s1
InChIKeyQEKZWIZRLLRHML-UEPKTDPCSA-N
MW235.26 g/mol
LogP-0.82
Rot. Bonds4

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

(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 70680592) has the molecular formula C8H13NO5S and a molecular weight of 235.26 g/mol. Its IUPAC name is (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID70680592
Molecular FormulaC8H13NO5S
Molecular Weight235.26 g/mol
Exact Mass235.05
IUPAC Name(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid
SMILESC[C@@H](O)[C@@H](C(=O)O)[C@@H]1NC(C(=O)O)CS1
InChIInChI=1S/C8H13NO5S/c1-3(10)5(8(13)14)6-9-4(2-15-6)7(11)12/h3-6,9-10H,2H2,1H3,(H,11,12)(H,13,14)/t3-,4?,5-,6-/m1/s1
InChIKeyQEKZWIZRLLRHML-UEPKTDPCSA-N
XLogP-0.82
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-(1-Carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
CID 446625
2-(1-Carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
CID 448697
2-(1-Carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
CID 444664
(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-3-hydroxypropanoate
CID 5287670
(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-3-hydroxy-3-methylbutanoate
CID 5287686
(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-3-hydroxy-3-methylbutanoate
CID 5288574
2-(1-Carboxy-1-sulfanylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 21427057
2-(1-Carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 57205512
2-(Carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 130020597
2-(1-Carboxy-2-hydroxyethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 4472502
2-(1-Carboxy-2-hydroxy-2-methylpropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 4472508
2-(1-Oxo-1-sulfanyloxybutan-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 21427058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid (CID 70680592) is (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid is C[C@@H](O)[C@@H](C(=O)O)[C@@H]1NC(C(=O)O)CS1.
What is the InChIKey of (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QEKZWIZRLLRHML-UEPKTDPCSA-N. The full InChI is InChI=1S/C8H13NO5S/c1-3(10)5(8(13)14)6-9-4(2-15-6)7(11)12/h3-6,9-10H,2H2,1H3,(H,11,12)(H,13,14)/t3-,4?,5-,6-/m1/s1.
What are the key properties of (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid?
(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of -0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 70680592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).