2-aminoethyl 2-methylprop-2-enoate;methane

C8H19NO2 — CID 158487497

IUPAC2-aminoethyl 2-methylprop-2-enoate;methane
SMILESC.C.C=C(C)C(=O)OCCN
InChIInChI=1S/C6H11NO2.2CH4/c1-5(2)6(8)9-4-3-7;;/h1,3-4,7H2,2H3;2*1H4
InChIKeyHIGVQIMRZVKCHQ-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.34
Rot. Bonds3

About 2-aminoethyl 2-methylprop-2-enoate;methane

2-aminoethyl 2-methylprop-2-enoate;methane (PubChem CID 158487497) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-aminoethyl 2-methylprop-2-enoate;methane.

Molecular Properties

Compound Name2-aminoethyl 2-methylprop-2-enoate;methane
PubChem CID158487497
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-aminoethyl 2-methylprop-2-enoate;methane
SMILESC.C.C=C(C)C(=O)OCCN
InChIInChI=1S/C6H11NO2.2CH4/c1-5(2)6(8)9-4-3-7;;/h1,3-4,7H2,2H3;2*1H4
InChIKeyHIGVQIMRZVKCHQ-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
butyl 2-methylprop-2-enoate;methane
CID 159646333
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
azane;propyl 2-methylprop-2-enoate
CID 172812841

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;methane?
The IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;methane (CID 158487497) is 2-aminoethyl 2-methylprop-2-enoate;methane.
What is the SMILES notation for 2-aminoethyl 2-methylprop-2-enoate;methane?
The canonical SMILES for 2-aminoethyl 2-methylprop-2-enoate;methane is C.C.C=C(C)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl 2-methylprop-2-enoate;methane?
The InChIKey is HIGVQIMRZVKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.2CH4/c1-5(2)6(8)9-4-3-7;;/h1,3-4,7H2,2H3;2*1H4.
What are the key properties of 2-aminoethyl 2-methylprop-2-enoate;methane?
2-aminoethyl 2-methylprop-2-enoate;methane has a molecular weight of 161.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylprop-2-enoate;methane is sourced from PubChem (CID 158487497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).