(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid

C9H12N2O4S — CID 28789670

IUPAC(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C1N[C@H](C(=O)N2CCC[C@H]2C(=O)O)CS1
InChIInChI=1S/C9H12N2O4S/c12-7(5-4-16-9(15)10-5)11-3-1-2-6(11)8(13)14/h5-6H,1-4H2,(H,10,15)(H,13,14)/t5-,6-/m0/s1
InChIKeyJWPIBTMYWWJLLY-WDSKDSINSA-N
MW244.27 g/mol
LogP-0.11
Rot. Bonds2

About (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 28789670) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID28789670
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C1N[C@H](C(=O)N2CCC[C@H]2C(=O)O)CS1
InChIInChI=1S/C9H12N2O4S/c12-7(5-4-16-9(15)10-5)11-3-1-2-6(11)8(13)14/h5-6H,1-4H2,(H,10,15)(H,13,14)/t5-,6-/m0/s1
InChIKeyJWPIBTMYWWJLLY-WDSKDSINSA-N
XLogP-0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
CID 107069118
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 13306589
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
4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 62468059
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1,3-thiazolidin-2-one
CID 116636142
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264258
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 28789670) is (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid is O=C1N[C@H](C(=O)N2CCC[C@H]2C(=O)O)CS1.
What is the InChIKey of (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JWPIBTMYWWJLLY-WDSKDSINSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-7(5-4-16-9(15)10-5)11-3-1-2-6(11)8(13)14/h5-6H,1-4H2,(H,10,15)(H,13,14)/t5-,6-/m0/s1.
What are the key properties of (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28789670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).