methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

C11H20N2O4 — CID 7127177

IUPACmethyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
SMILESCOC(=O)C(=CN(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)12-8(7-13(4)5)9(14)16-6/h7H,1-6H3,(H,12,15)
InChIKeySARVTQFJJABHLS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.09
Rot. Bonds3

About methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate (PubChem CID 7127177) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
PubChem CID7127177
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
SMILESCOC(=O)C(=CN(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)12-8(7-13(4)5)9(14)16-6/h7H,1-6H3,(H,12,15)
InChIKeySARVTQFJJABHLS-UHFFFAOYSA-N
XLogP1.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
The IUPAC name of methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate (CID 7127177) is methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
The canonical SMILES for methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate is COC(=O)C(=CN(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
The InChIKey is SARVTQFJJABHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)12-8(7-13(4)5)9(14)16-6/h7H,1-6H3,(H,12,15).
What are the key properties of methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate is sourced from PubChem (CID 7127177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).