ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate

C11H16N2O4S — CID 154574796

IUPACethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(16)8-5-18-6-13(8)10(15)7-3-4-9(14)12-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-,8+/m0/s1
InChIKeyHGMOYCRECBXXPV-JGVFFNPUSA-N
MW272.33 g/mol
LogP-0.27
Rot. Bonds3

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

ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 154574796) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
PubChem CID154574796
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(16)8-5-18-6-13(8)10(15)7-3-4-9(14)12-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-,8+/m0/s1
InChIKeyHGMOYCRECBXXPV-JGVFFNPUSA-N
XLogP-0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 40854999
3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 10263810
2-amino-2-(hydroxymethyl)propane-1,3-diol;(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 44625960
5-[4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 10064176
N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 171352066
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24820077
ethyl 4-(5-oxopiperazine-2-carbonyl)thiomorpholine-3-carboxylate
CID 107435028
ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
CID 81345446
N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 128514096
ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate
CID 104913277
ethyl 3-(2-dimethoxyphosphorylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 88734745

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate (CID 154574796) is ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate is CCOC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is HGMOYCRECBXXPV-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-17-11(16)8-5-18-6-13(8)10(15)7-3-4-9(14)12-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-,8+/m0/s1.
What are the key properties of ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 272.33 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 154574796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).