methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate

C11H20N2O4S — CID 11208142

IUPACmethyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(CNC(=O)OC(C)(C)C)N1
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(15)12-5-8-13-7(6-18-8)9(14)16-4/h7-8,13H,5-6H2,1-4H3,(H,12,15)/t7-,8?/m0/s1
InChIKeyWWBAFLHKEUVCKC-JAMMHHFISA-N
MW276.36 g/mol
LogP0.72
Rot. Bonds3

About methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate

methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 11208142) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
PubChem CID11208142
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Namemethyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(CNC(=O)OC(C)(C)C)N1
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(15)12-5-8-13-7(6-18-8)9(14)16-4/h7-8,13H,5-6H2,1-4H3,(H,12,15)/t7-,8?/m0/s1
InChIKeyWWBAFLHKEUVCKC-JAMMHHFISA-N
XLogP0.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate (CID 11208142) is methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSC(CNC(=O)OC(C)(C)C)N1.
What is the InChIKey of methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is WWBAFLHKEUVCKC-JAMMHHFISA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2,3)17-10(15)12-5-8-13-7(6-18-8)9(14)16-4/h7-8,13H,5-6H2,1-4H3,(H,12,15)/t7-,8?/m0/s1.
What are the key properties of methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 11208142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).