methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate

C9H15NO3S — CID 131844650

IUPACmethyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCC[C@H]1SC[C@@H](C(=O)OC)N1C=O
InChIInChI=1S/C9H15NO3S/c1-3-4-8-10(6-11)7(5-14-8)9(12)13-2/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyUDJSUFSGJSHDRK-JGVFFNPUSA-N
MW217.29 g/mol
LogP0.86
Rot. Bonds4

About methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate

methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 131844650) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID131844650
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Namemethyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCC[C@H]1SC[C@@H](C(=O)OC)N1C=O
InChIInChI=1S/C9H15NO3S/c1-3-4-8-10(6-11)7(5-14-8)9(12)13-2/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyUDJSUFSGJSHDRK-JGVFFNPUSA-N
XLogP0.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 15052278
methyl 3-(3,3-dimethylbutanoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729354
methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate
CID 71410127
methyl (2R,4R)-2-tert-butyl-5,5-dideuterio-3-formyl-1,3-thiazolidine-4-carboxylate
CID 101232737
methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
CID 45038525
methyl 3-(2,6-dimethoxybenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729387
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729353
2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958890
3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780750
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate (CID 131844650) is methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate is CCC[C@H]1SC[C@@H](C(=O)OC)N1C=O.
What is the InChIKey of methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is UDJSUFSGJSHDRK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-4-8-10(6-11)7(5-14-8)9(12)13-2/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate?
methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 217.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 131844650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).