methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C13H19NO6 — CID 20624266

IUPACmethyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C(O)c1ccoc1
InChIInChI=1S/C13H19NO6/c1-13(2,3)20-12(17)14-9(11(16)18-4)10(15)8-5-6-19-7-8/h5-7,9-10,15H,1-4H3,(H,14,17)
InChIKeyWWYXUJMYXWRVHE-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.38
Rot. Bonds4

About methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 20624266) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID20624266
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Namemethyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C(O)c1ccoc1
InChIInChI=1S/C13H19NO6/c1-13(2,3)20-12(17)14-9(11(16)18-4)10(15)8-5-6-19-7-8/h5-7,9-10,15H,1-4H3,(H,14,17)
InChIKeyWWYXUJMYXWRVHE-UHFFFAOYSA-N
XLogP1.38
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 20624266) is methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C(NC(=O)OC(C)(C)C)C(O)c1ccoc1.
What is the InChIKey of methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is WWYXUJMYXWRVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6/c1-13(2,3)20-12(17)14-9(11(16)18-4)10(15)8-5-6-19-7-8/h5-7,9-10,15H,1-4H3,(H,14,17).
What are the key properties of methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 285.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-3-yl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 20624266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).