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

C10H14N2O4S — CID 124519646

IUPACmethyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H14N2O4S/c1-16-10(15)7-4-17-5-12(7)9(14)6-2-3-8(13)11-6/h6-7H,2-5H2,1H3,(H,11,13)/t6-,7-/m0/s1
InChIKeyFACSPTMJWBYYNZ-BQBZGAKWSA-N
MW258.30 g/mol
LogP-0.66
Rot. Bonds2

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

methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 124519646) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
PubChem CID124519646
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H14N2O4S/c1-16-10(15)7-4-17-5-12(7)9(14)6-2-3-8(13)11-6/h6-7H,2-5H2,1H3,(H,11,13)/t6-,7-/m0/s1
InChIKeyFACSPTMJWBYYNZ-BQBZGAKWSA-N
XLogP-0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate (CID 124519646) is methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is FACSPTMJWBYYNZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-10(15)7-4-17-5-12(7)9(14)6-2-3-8(13)11-6/h6-7H,2-5H2,1H3,(H,11,13)/t6-,7-/m0/s1.
What are the key properties of methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 258.30 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 124519646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).