methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate

C12H19NO4 — CID 10728810

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
SMILESC=CCN(C(=C)C(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-7-8-13(9(2)10(14)16-6)11(15)17-12(3,4)5/h7H,1-2,8H2,3-6H3
InChIKeyKEAQACJTWOIMFB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate (PubChem CID 10728810) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
PubChem CID10728810
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
SMILESC=CCN(C(=C)C(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-7-8-13(9(2)10(14)16-6)11(15)17-12(3,4)5/h7H,1-2,8H2,3-6H3
InChIKeyKEAQACJTWOIMFB-UHFFFAOYSA-N
XLogP2.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
tert-butyl N-[(E)-N'-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-prop-2-enylcarbamate
CID 135522645
methyl 2-[phenylmethoxycarbonyl(prop-2-enyl)amino]prop-2-enoate
CID 68854413
methyl 2-[2-(2-iodophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 11070039
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[(E)-4,4-dimethylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
CID 10570419
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
methyl 2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 170419078
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447
tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 11267907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate (CID 10728810) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate is C=CCN(C(=C)C(=O)OC)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate?
The InChIKey is KEAQACJTWOIMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-8-13(9(2)10(14)16-6)11(15)17-12(3,4)5/h7H,1-2,8H2,3-6H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate is sourced from PubChem (CID 10728810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).