ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate

C12H15NO2 — CID 6087699

IUPACethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(C)=C(\N)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-8H,3,13H2,1-2H3/b11-9-
InChIKeyDSDBLHWAXOMNIZ-LUAWRHEFSA-N
MW205.26 g/mol
LogP1.94
Rot. Bonds3

About ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate

ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate (PubChem CID 6087699) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate
PubChem CID6087699
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(C)=C(\N)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-8H,3,13H2,1-2H3/b11-9-
InChIKeyDSDBLHWAXOMNIZ-LUAWRHEFSA-N
XLogP1.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate (CID 6087699) is ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate is CCOC(=O)/C(C)=C(\N)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate?
The InChIKey is DSDBLHWAXOMNIZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-8H,3,13H2,1-2H3/b11-9-.
What are the key properties of ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate?
ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate is sourced from PubChem (CID 6087699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).