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

C11H20N2O4S — CID 10967775

IUPACmethyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@@H](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-YUMQZZPRSA-N
MW276.36 g/mol
LogP0.72
Rot. Bonds3

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

methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 10967775) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
PubChem CID10967775
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Namemethyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@@H](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-YUMQZZPRSA-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

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

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Related Compounds

Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
CID 2765842
tert-butyl 2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetate
CID 477574
methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(methylsulfanyl)propanoate
CID 11054039
N-(Tert-butoxycarbonyl)-L-methionyl-L-alanine methyl ester
CID 45049922
methyl {[(2S)-2-[(tert-butoxycarbonyl)amino]-4-(methylsulfanyl)butanoyl]amino}acetate
CID 10853150
Boc-Ala-Cys(CF3)-OMe
CID 169084445
Boc-DL-Ala-DL-Cys(CF3)-OMe
CID 175436222
Methyl N-(tert-butoxycarbonyl)glycylmethioninate
CID 334754
Methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanamido)propanoate
CID 335311
methyl N-(tert-butoxycarbonyl)-S-methyl-L-cysteinate
CID 13773593
methyl (2R)-3-(2-amino-2-oxoethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 21680777
Methyl 3-(2-amino-2-oxoethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 73823813

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate (CID 10967775) is methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CS[C@@H](CNC(=O)OC(C)(C)C)N1.
What is the InChIKey of methyl (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is WWBAFLHKEUVCKC-YUMQZZPRSA-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 (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate?
methyl (2S,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 (2S,4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 10967775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).