methyl 3-(1,3-thiazolidin-3-yl)propanoate

C7H13NO2S — CID 14941164

IUPACmethyl 3-(1,3-thiazolidin-3-yl)propanoate
SMILESCOC(=O)CCN1CCSC1
InChIInChI=1S/C7H13NO2S/c1-10-7(9)2-3-8-4-5-11-6-8/h2-6H2,1H3
InChIKeyVGTSEXYOCNFEPJ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.56
Rot. Bonds3

About methyl 3-(1,3-thiazolidin-3-yl)propanoate

methyl 3-(1,3-thiazolidin-3-yl)propanoate (PubChem CID 14941164) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is methyl 3-(1,3-thiazolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,3-thiazolidin-3-yl)propanoate
PubChem CID14941164
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Namemethyl 3-(1,3-thiazolidin-3-yl)propanoate
SMILESCOC(=O)CCN1CCSC1
InChIInChI=1S/C7H13NO2S/c1-10-7(9)2-3-8-4-5-11-6-8/h2-6H2,1H3
InChIKeyVGTSEXYOCNFEPJ-UHFFFAOYSA-N
XLogP0.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 14941168
Ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate
CID 21297223
Methyl 3-(2,4-dioxothiazolidin-3-yl)propanoate
CID 28940057
Methyl 2-methyl-1,3-thiazolidine-5-carboxylate
CID 90117907
3-(1,3-Thiazolidin-3-yl)propanoic acid
CID 145860848
Methyl 3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
CID 275663
3-(2-Oxo-1,3-thiazolidin-3-yl)propanoate
CID 7131394
Ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 43424240
Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)propanoate
CID 78765940
Methyl 2,2-dimethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 79630149
methyl (2S)-2-(pyrrolidine-1-carbothioylsulfanyl)propanoate
CID 97924079
methyl (2R)-2-(pyrrolidine-1-carbothioylsulfanyl)propanoate
CID 97924080

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-thiazolidin-3-yl)propanoate?
The IUPAC name of methyl 3-(1,3-thiazolidin-3-yl)propanoate (CID 14941164) is methyl 3-(1,3-thiazolidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(1,3-thiazolidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(1,3-thiazolidin-3-yl)propanoate is COC(=O)CCN1CCSC1.
What is the InChIKey of methyl 3-(1,3-thiazolidin-3-yl)propanoate?
The InChIKey is VGTSEXYOCNFEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-10-7(9)2-3-8-4-5-11-6-8/h2-6H2,1H3.
What are the key properties of methyl 3-(1,3-thiazolidin-3-yl)propanoate?
methyl 3-(1,3-thiazolidin-3-yl)propanoate has a molecular weight of 175.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-thiazolidin-3-yl)propanoate is sourced from PubChem (CID 14941164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).