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

C13H24N2O5S — CID 85257744

IUPACmethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
SMILESCOCC(NC(=O)OC(C)(C)C)C1NC(C(=O)OC)CS1
InChIInChI=1S/C13H24N2O5S/c1-13(2,3)20-12(17)15-8(6-18-4)10-14-9(7-21-10)11(16)19-5/h8-10,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyCZSDPRPVCJRYQL-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.73
Rot. Bonds5

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

methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 85257744) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
PubChem CID85257744
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Namemethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
SMILESCOCC(NC(=O)OC(C)(C)C)C1NC(C(=O)OC)CS1
InChIInChI=1S/C13H24N2O5S/c1-13(2,3)20-12(17)15-8(6-18-4)10-14-9(7-21-10)11(16)19-5/h8-10,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyCZSDPRPVCJRYQL-UHFFFAOYSA-N
XLogP0.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetate
CID 477574
N-(Tert-butoxycarbonyl)-L-methionyl-L-alanine methyl ester
CID 45049922
methyl {[(2S)-2-[(tert-butoxycarbonyl)amino]-4-(methylsulfanyl)butanoyl]amino}acetate
CID 10853150
Ethyl 2-(2-ethoxy-1-formamido-2-oxo-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylate
CID 504548
Methyl N-(tert-butoxycarbonyl)glycylmethioninate
CID 334754
Methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanamido)propanoate
CID 335311
methyl (2S,4R)-3-(2-chloroacetyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
CID 10861135
3-O-tert-butyl 4-O-methyl (4R,5R)-5-amino-2,2-dimethyl-1,3-thiazolidine-3,4-dicarboxylate
CID 11066203
Methyl 3-(methylcarbamoylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 14334562
Methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-thiazolidine-4-carboxylate
CID 72824994
Methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
CID 134890772
Methyl 2-[(2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 272733

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate (CID 85257744) is methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate is COCC(NC(=O)OC(C)(C)C)C1NC(C(=O)OC)CS1.
What is the InChIKey of methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is CZSDPRPVCJRYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-13(2,3)20-12(17)15-8(6-18-4)10-14-9(7-21-10)11(16)19-5/h8-10,14H,6-7H2,1-5H3,(H,15,17).
What are the key properties of methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 85257744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).