methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C15H22N2O4S — CID 169194070

IUPACmethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(CC1CCc2scnc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)21-14(19)17-10(13(18)20-4)7-9-5-6-11-12(9)16-8-22-11/h8-10H,5-7H2,1-4H3,(H,17,19)
InChIKeyNTEZMSWFWHWGGR-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.63
Rot. Bonds4

About methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 169194070) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID169194070
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(CC1CCc2scnc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)21-14(19)17-10(13(18)20-4)7-9-5-6-11-12(9)16-8-22-11/h8-10H,5-7H2,1-4H3,(H,17,19)
InChIKeyNTEZMSWFWHWGGR-UHFFFAOYSA-N
XLogP2.63
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 169194070) is methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C(CC1CCc2scnc21)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is NTEZMSWFWHWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(19)17-10(13(18)20-4)7-9-5-6-11-12(9)16-8-22-11/h8-10H,5-7H2,1-4H3,(H,17,19).
What are the key properties of methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 326.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 169194070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).