methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

C8H15NO2S — CID 97184103

IUPACmethyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](C(C)C)N1
InChIInChI=1S/C8H15NO2S/c1-5(2)7-9-6(4-12-7)8(10)11-3/h5-7,9H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyHFAMQEIRUQNGKY-NKWVEPMBSA-N
MW189.28 g/mol
LogP0.85
Rot. Bonds2

About methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (PubChem CID 97184103) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
PubChem CID97184103
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](C(C)C)N1
InChIInChI=1S/C8H15NO2S/c1-5(2)7-9-6(4-12-7)8(10)11-3/h5-7,9H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyHFAMQEIRUQNGKY-NKWVEPMBSA-N
XLogP0.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R,4R)-2-propan-2-yl-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

Related Compounds

4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 45082403
2-Tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3734985
(2Rs,4r)-2-ethylthiazolidine-4-carboxylic acid
CID 44370452
Ethyl thiazolidine-4-carboxylate
CID 103574
2-(2-Methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 22368030
ethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 54231762
Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
CID 14377868
Ethyl L-thiazolidine-4-carboxylate hydrochloride
CID 45357993
(2S,4R)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 676489

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (CID 97184103) is methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CS[C@H](C(C)C)N1.
What is the InChIKey of methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The InChIKey is HFAMQEIRUQNGKY-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5(2)7-9-6(4-12-7)8(10)11-3/h5-7,9H,4H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate has a molecular weight of 189.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 97184103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).