(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid

C9H14N2O4S — CID 61161928

IUPAC(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)C1CSCN1
InChIInChI=1S/C9H14N2O4S/c12-5-1-7(9(14)15)11(2-5)8(13)6-3-16-4-10-6/h5-7,10,12H,1-4H2,(H,14,15)/t5?,6?,7-/m0/s1
InChIKeyMTQLURFLGCCPJB-AHXFUIDQSA-N
MW246.29 g/mol
LogP-1.30
Rot. Bonds2

About (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61161928) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61161928
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)C1CSCN1
InChIInChI=1S/C9H14N2O4S/c12-5-1-7(9(14)15)11(2-5)8(13)6-3-16-4-10-6/h5-7,10,12H,1-4H2,(H,14,15)/t5?,6?,7-/m0/s1
InChIKeyMTQLURFLGCCPJB-AHXFUIDQSA-N
XLogP-1.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 82908311
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714436
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310155
1,3-thiazolidine-4-carboxylic acid
CID 9934
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
(2S,4S)-4-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 64714435
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 61161928) is (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)C1CSCN1.
What is the InChIKey of (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MTQLURFLGCCPJB-AHXFUIDQSA-N. The full InChI is InChI=1S/C9H14N2O4S/c12-5-1-7(9(14)15)11(2-5)8(13)6-3-16-4-10-6/h5-7,10,12H,1-4H2,(H,14,15)/t5?,6?,7-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61161928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).