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

C9H16N2O3S — CID 20624260

IUPACmethyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C)(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O3S/c1-9(2)11(7(12)4-10)6(5-15-9)8(13)14-3/h6H,4-5,10H2,1-3H3
InChIKeySXMGBDXUVLFOSC-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.20
Rot. Bonds2

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

methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 20624260) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID20624260
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Namemethyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C)(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O3S/c1-9(2)11(7(12)4-10)6(5-15-9)8(13)14-3/h6H,4-5,10H2,1-3H3
InChIKeySXMGBDXUVLFOSC-UHFFFAOYSA-N
XLogP-0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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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Related Compounds

Dimethyl 3-(2-morpholinoacetyl)-1,3-thiazolane-2,4-dicarboxylate
CID 3697226
3-Glycyl-2-methyl-1,3-thiazolidine-4-carboxylic acid--hydrogen bromide (1/1)
CID 3065224
4-Thiazolidinecarboxylic acid, 3-glycyl-2-methyl-, ethyl ester, hydrobromide
CID 3065226
Alonacic
CID 178133
methyl 2-(2-amino-N-methyl-3-(methylsulfanyl)propanamido)acetate hydrochloride
CID 146049801
3-Morpholinoacetyl-4-methoxycarbonylthiazolidine
CID 14548326
Methyl 3-acetyl-1,3-thiazolidine-4-carboxylate
CID 70567228
methyl (4R,5S)-3-acetyl-5-fluoro-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 101146865
3-O-tert-butyl 4-O-methyl (4R,5R)-5-amino-2,2-dimethyl-1,3-thiazolidine-3,4-dicarboxylate
CID 11066203
Methyl 3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 13501311
3-(N-methylpiperazino)acetyl-4-methoxycarbonylthiazolidine
CID 14548324
3-(2-Aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 3065225

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (CID 20624260) is methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(C)(C)N1C(=O)CN.
What is the InChIKey of methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is SXMGBDXUVLFOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(2)11(7(12)4-10)6(5-15-9)8(13)14-3/h6H,4-5,10H2,1-3H3.
What are the key properties of methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 232.30 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 20624260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).