ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide

C9H17BrN2O3S — CID 3065226

IUPACethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1CSC(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O3S.BrH/c1-3-14-9(13)7-5-15-6(2)11(7)8(12)4-10;/h6-7H,3-5,10H2,1-2H3;1H
InChIKeyFHRICKHIRHKUAZ-UHFFFAOYSA-N
MW313.22 g/mol
LogP0.38
Rot. Bonds3

About ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide

ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide (PubChem CID 3065226) has the molecular formula C9H17BrN2O3S and a molecular weight of 313.22 g/mol. Its IUPAC name is ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide
PubChem CID3065226
Molecular FormulaC9H17BrN2O3S
Molecular Weight313.22 g/mol
Exact Mass312.01
IUPAC Nameethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1CSC(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O3S.BrH/c1-3-14-9(13)7-5-15-6(2)11(7)8(12)4-10;/h6-7H,3-5,10H2,1-2H3;1H
InChIKeyFHRICKHIRHKUAZ-UHFFFAOYSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
The IUPAC name of ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide (CID 3065226) is ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
The canonical SMILES for ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide is Br.CCOC(=O)C1CSC(C)N1C(=O)CN.
What is the InChIKey of ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
The InChIKey is FHRICKHIRHKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S.BrH/c1-3-14-9(13)7-5-15-6(2)11(7)8(12)4-10;/h6-7H,3-5,10H2,1-2H3;1H.
What are the key properties of ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide has a molecular weight of 313.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate;hydrobromide is sourced from PubChem (CID 3065226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).