2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C9H12N2O4S — CID 22843758

IUPAC2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1CC[C@@H](C(=O)C2NC(C(=O)O)CS2)N1
InChIInChI=1S/C9H12N2O4S/c12-6-2-1-4(10-6)7(13)8-11-5(3-16-8)9(14)15/h4-5,8,11H,1-3H2,(H,10,12)(H,14,15)/t4-,5?,8?/m0/s1
InChIKeyYYNDYWZFSNGFCD-ZHBRMIHBSA-N
MW244.27 g/mol
LogP-1.05
Rot. Bonds3

About 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 22843758) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID22843758
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1CC[C@@H](C(=O)C2NC(C(=O)O)CS2)N1
InChIInChI=1S/C9H12N2O4S/c12-6-2-1-4(10-6)7(13)8-11-5(3-16-8)9(14)15/h4-5,8,11H,1-3H2,(H,10,12)(H,14,15)/t4-,5?,8?/m0/s1
InChIKeyYYNDYWZFSNGFCD-ZHBRMIHBSA-N
XLogP-1.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
CID 22302524
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one
CID 20830000
carbamic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 158032480
2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 70149669
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
CID 174442978
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 22843758) is 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is O=C1CC[C@@H](C(=O)C2NC(C(=O)O)CS2)N1.
What is the InChIKey of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YYNDYWZFSNGFCD-ZHBRMIHBSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-6-2-1-4(10-6)7(13)8-11-5(3-16-8)9(14)15/h4-5,8,11H,1-3H2,(H,10,12)(H,14,15)/t4-,5?,8?/m0/s1.
What are the key properties of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 22843758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).