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

C8H15NO2S — CID 101131834

IUPACmethyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCC[C@H]1N[C@H](C(=O)OC)CS1
InChIInChI=1S/C8H15NO2S/c1-3-4-7-9-6(5-12-7)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyJWOLORSQCLFHDH-BQBZGAKWSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds3

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

methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 101131834) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID101131834
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCC[C@H]1N[C@H](C(=O)OC)CS1
InChIInChI=1S/C8H15NO2S/c1-3-4-7-9-6(5-12-7)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyJWOLORSQCLFHDH-BQBZGAKWSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 101131848
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
methyl 7-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine-3-carboxylate
CID 65170927
dimethyl (2R,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 7010165
dimethyl (2S,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 28775163
2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
methyl 2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazolidine-4-carboxylate
CID 67930223
methyl (2R,4R)-2-tert-butyl-1,3-thiazolidine-4-carboxylate
CID 10921607
methyl (4R)-2-tert-butyl-1,3-thiazolidine-4-carboxylate
CID 11542981
propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42744271
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
tert-butyl N-(2-oxoethyl)carbamate;methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
CID 158212043

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate (CID 101131834) is methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate is CCC[C@H]1N[C@H](C(=O)OC)CS1.
What is the InChIKey of methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is JWOLORSQCLFHDH-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-4-7-9-6(5-12-7)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate?
methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 189.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 101131834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).