2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate

C14H17NO2 — CID 139677366

IUPAC2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
SMILESC=Cc1ccccc1/C=C(\C)C(=O)OCCN
InChIInChI=1S/C14H17NO2/c1-3-12-6-4-5-7-13(12)10-11(2)14(16)17-9-8-15/h3-7,10H,1,8-9,15H2,2H3/b11-10+
InChIKeyNCTXJLOWCMBZLK-ZHACJKMWSA-N
MW231.29 g/mol
LogP2.23
Rot. Bonds5

About 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate

2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate (PubChem CID 139677366) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Name2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
PubChem CID139677366
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
SMILESC=Cc1ccccc1/C=C(\C)C(=O)OCCN
InChIInChI=1S/C14H17NO2/c1-3-12-6-4-5-7-13(12)10-11(2)14(16)17-9-8-15/h3-7,10H,1,8-9,15H2,2H3/b11-10+
InChIKeyNCTXJLOWCMBZLK-ZHACJKMWSA-N
XLogP2.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.23
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-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139889525
oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139607372
1,1,2-trifluoroethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139915858
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate
CID 142695947
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
ethyl (E)-2-methyl-3-(2-prop-2-enoxyphenyl)prop-2-enoate
CID 15292046
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
CID 143654751
CID 159564409
CID 159564409

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
The IUPAC name of 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate (CID 139677366) is 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
The canonical SMILES for 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate is C=Cc1ccccc1/C=C(\C)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
The InChIKey is NCTXJLOWCMBZLK-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-12-6-4-5-7-13(12)10-11(2)14(16)17-9-8-15/h3-7,10H,1,8-9,15H2,2H3/b11-10+.
What are the key properties of 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate has a molecular weight of 231.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 139677366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).