ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate

C8H15NO3 — CID 173442797

IUPACethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=COCCN
InChIInChI=1S/C8H15NO3/c1-3-12-8(10)7(2)6-11-5-4-9/h6H,3-5,9H2,1-2H3
InChIKeyBJMCGZGHGNGTQB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.43
Rot. Bonds5

About ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate

ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate (PubChem CID 173442797) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
PubChem CID173442797
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=COCCN
InChIInChI=1S/C8H15NO3/c1-3-12-8(10)7(2)6-11-5-4-9/h6H,3-5,9H2,1-2H3
InChIKeyBJMCGZGHGNGTQB-UHFFFAOYSA-N
XLogP0.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 174610941
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
CID 153430214
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
CID 173011903
ethyl 2-methyl-3-(2-oxo-3-sulfanylpropoxy)prop-2-enoate
CID 175353840
ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate
CID 175021511
bis(3-ethoxy-2-methyl-3-oxoprop-1-enyl) (Z)-but-2-enedioate
CID 174579403
ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate
CID 21285834
octyl (Z)-3-ethoxy-2-methylprop-2-enoate
CID 59895705
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
ethyl (E)-2-methylpent-2-enoate
CID 6436311

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate (CID 173442797) is ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate is CCOC(=O)C(C)=COCCN.
What is the InChIKey of ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate?
The InChIKey is BJMCGZGHGNGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-12-8(10)7(2)6-11-5-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate?
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate has a molecular weight of 173.21 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate is sourced from PubChem (CID 173442797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).