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

C17H25N3O5S — CID 40854999

IUPACethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1
InChIInChI=1S/C17H25N3O5S/c1-2-25-17(24)11-5-7-19(8-6-11)16(23)13-9-26-10-20(13)15(22)12-3-4-14(21)18-12/h11-13H,2-10H2,1H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyNZLIUMXBPHBVBO-STQMWFEESA-N
MW383.47 g/mol
LogP-0.03
Rot. Bonds4

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

ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 40854999) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
PubChem CID40854999
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nameethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1
InChIInChI=1S/C17H25N3O5S/c1-2-25-17(24)11-5-7-19(8-6-11)16(23)13-9-26-10-20(13)15(22)12-3-4-14(21)18-12/h11-13H,2-10H2,1H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyNZLIUMXBPHBVBO-STQMWFEESA-N
XLogP-0.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
CID 154574796
5-[4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 10064176
3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 10263810
ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 4315196
ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
CID 81345446
2-amino-2-(hydroxymethyl)propane-1,3-diol;(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 44625960
N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 171352066
1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 119166620
ethyl 4-(5-oxo-1,4-thiazepane-3-carbonyl)piperazine-1-carboxylate
CID 71798003
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42745307
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (CID 40854999) is ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1.
What is the InChIKey of ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is NZLIUMXBPHBVBO-STQMWFEESA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-2-25-17(24)11-5-7-19(8-6-11)16(23)13-9-26-10-20(13)15(22)12-3-4-14(21)18-12/h11-13H,2-10H2,1H3,(H,18,21)/t12-,13-/m0/s1.
What are the key properties of ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 383.47 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 40854999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).