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

C9H16N2O3S — CID 59926804

IUPACmethyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSC(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/t6-/m1/s1
InChIKeySXMGBDXUVLFOSC-ZCFIWIBFSA-N
MW232.30 g/mol
LogP-0.20
Rot. Bonds2

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

methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 59926804) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID59926804
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Namemethyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSC(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/t6-/m1/s1
InChIKeySXMGBDXUVLFOSC-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (CID 59926804) is methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@H]1CSC(C)(C)N1C(=O)CN.
What is the InChIKey of methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is SXMGBDXUVLFOSC-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of methyl (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
methyl (4S)-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 (4S)-3-(2-aminoacetyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 59926804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).