methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate

C8H13NO3S — CID 118967913

IUPACmethyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCC[C@]1(C(=O)OC)CSC(=O)N1
InChIInChI=1S/C8H13NO3S/c1-3-4-8(6(10)12-2)5-13-7(11)9-8/h3-5H2,1-2H3,(H,9,11)/t8-/m1/s1
InChIKeyAJEPTMVOBDBTNS-MRVPVSSYSA-N
MW203.26 g/mol
LogP1.15
Rot. Bonds3

About methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate

methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 118967913) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID118967913
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Namemethyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCC[C@]1(C(=O)OC)CSC(=O)N1
InChIInChI=1S/C8H13NO3S/c1-3-4-8(6(10)12-2)5-13-7(11)9-8/h3-5H2,1-2H3,(H,9,11)/t8-/m1/s1
InChIKeyAJEPTMVOBDBTNS-MRVPVSSYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate (CID 118967913) is methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate is CCC[C@]1(C(=O)OC)CSC(=O)N1.
What is the InChIKey of methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is AJEPTMVOBDBTNS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-3-4-8(6(10)12-2)5-13-7(11)9-8/h3-5H2,1-2H3,(H,9,11)/t8-/m1/s1.
What are the key properties of methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate?
methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 118967913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).