1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

C11H19NO4 — CID 87292834

IUPAC1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)9(13)15-8(3)12-10(14)16-11(4,5)6/h8H,1H2,2-6H3,(H,12,14)
InChIKeyRYROMFOSAGLPPM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.98
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 87292834) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID87292834
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)9(13)15-8(3)12-10(14)16-11(4,5)6/h8H,1H2,2-6H3,(H,12,14)
InChIKeyRYROMFOSAGLPPM-UHFFFAOYSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 87292834) is 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is RYROMFOSAGLPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)9(13)15-8(3)12-10(14)16-11(4,5)6/h8H,1H2,2-6H3,(H,12,14).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87292834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).