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

C12H22N2O4S — CID 134890772

IUPACmethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C(C)NC(=O)OC(C)(C)C)N1
InChIInChI=1S/C12H22N2O4S/c1-7(13-11(16)18-12(2,3)4)9-14-8(6-19-9)10(15)17-5/h7-9,14H,6H2,1-5H3,(H,13,16)
InChIKeyNRBFIIRJHXSESK-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.10
Rot. Bonds3

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

methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 134890772) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
PubChem CID134890772
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C(C)NC(=O)OC(C)(C)C)N1
InChIInChI=1S/C12H22N2O4S/c1-7(13-11(16)18-12(2,3)4)9-14-8(6-19-9)10(15)17-5/h7-9,14H,6H2,1-5H3,(H,13,16)
InChIKeyNRBFIIRJHXSESK-UHFFFAOYSA-N
XLogP1.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[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
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
(R)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-3-mercaptopropanamido)acetate
CID 14334556
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
tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 10268430
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate (CID 134890772) is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(C(C)NC(=O)OC(C)(C)C)N1.
What is the InChIKey of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is NRBFIIRJHXSESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-7(13-11(16)18-12(2,3)4)9-14-8(6-19-9)10(15)17-5/h7-9,14H,6H2,1-5H3,(H,13,16).
What are the key properties of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate?
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 134890772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).