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

C9H16N2O3S — CID 3065227

IUPACethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O3S/c1-3-14-9(13)7-5-15-6(2)11(7)8(12)4-10/h6-7H,3-5,10H2,1-2H3
InChIKeyPGNUBOSWABOFCX-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.20
Rot. Bonds3

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

ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 3065227) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID3065227
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Nameethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O3S/c1-3-14-9(13)7-5-15-6(2)11(7)8(12)4-10/h6-7H,3-5,10H2,1-2H3
InChIKeyPGNUBOSWABOFCX-UHFFFAOYSA-N
XLogP-0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.20
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?
The IUPAC name of ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate (CID 3065227) is ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(C)N1C(=O)CN.
What is the InChIKey of ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is PGNUBOSWABOFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-14-9(13)7-5-15-6(2)11(7)8(12)4-10/h6-7H,3-5,10H2,1-2H3.
What are the key properties of ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate?
ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 232.30 g/mol, XLogP of -0.20, 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 is sourced from PubChem (CID 3065227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).