2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate

C17H23NO5 — CID 66776977

IUPAC2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCN.C=CC(=O)OC(C)c1ccccc1O
InChIInChI=1S/C11H12O3.C6H11NO2/c1-3-11(13)14-8(2)9-6-4-5-7-10(9)12;1-5(2)6(8)9-4-3-7/h3-8,12H,1H2,2H3;1,3-4,7H2,2H3
InChIKeyDOBRWXGEYJVJPU-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.25
Rot. Bonds6

About 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate

2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate (PubChem CID 66776977) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate
PubChem CID66776977
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCN.C=CC(=O)OC(C)c1ccccc1O
InChIInChI=1S/C11H12O3.C6H11NO2/c1-3-11(13)14-8(2)9-6-4-5-7-10(9)12;1-5(2)6(8)9-4-3-7/h3-8,12H,1H2,2H3;1,3-4,7H2,2H3
InChIKeyDOBRWXGEYJVJPU-UHFFFAOYSA-N
XLogP2.25
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate
CID 139674274
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
1-[2-(methylamino)phenyl]ethyl prop-2-enoate
CID 70261279
1-(2,3-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 174632802
1-phenylethyl prop-2-enoate
CID 175321764
1-(2-bromophenyl)ethyl 2-methylprop-2-enoate
CID 140663803
2-hydroxyethyl 2-methylprop-2-enoate;2-prop-2-enylphenol
CID 174569324
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate?
The IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate (CID 66776977) is 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate?
The canonical SMILES for 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate is C=C(C)C(=O)OCCN.C=CC(=O)OC(C)c1ccccc1O.
What is the InChIKey of 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate?
The InChIKey is DOBRWXGEYJVJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C6H11NO2/c1-3-11(13)14-8(2)9-6-4-5-7-10(9)12;1-5(2)6(8)9-4-3-7/h3-8,12H,1H2,2H3;1,3-4,7H2,2H3.
What are the key properties of 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate?
2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate has a molecular weight of 321.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate is sourced from PubChem (CID 66776977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).