ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate

C11H12BrNO2 — CID 12021528

IUPACethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-7H,2,13H2,1H3/b10-7-
InChIKeyGGKNKAAFXHKJNR-YFHOEESVSA-N
MW270.13 g/mol
LogP2.31
Rot. Bonds3

About ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate

ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate (PubChem CID 12021528) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
PubChem CID12021528
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Nameethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-7H,2,13H2,1H3/b10-7-
InChIKeyGGKNKAAFXHKJNR-YFHOEESVSA-N
XLogP2.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-Amino-3-phenyl-acrylic acid ethyl ester
CID 6287361
Ethyl 3-amino-3-(p-tolyl)acrylate
CID 12021527
Ethyl 3-amino-3-phenylprop-2-enoate
CID 312934
ethyl (Z)-3-amino-2-methyl-3-phenylprop-2-enoate
CID 6087699
ethyl (E)-3-amino-3-phenylprop-2-enoate
CID 10797788
methyl (Z)-3-acetamido-3-(4-bromophenyl)prop-2-enoate
CID 11335488
Methyl 3-amino-3-phenylacrylate
CID 12479377
methyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
CID 49831966
Ethyl 3-amino-3-(2-fluorophenyl)acrylate
CID 15407485
ethyl (Z)-3-amino-2-fluoro-3-phenylprop-2-enoate
CID 67835618
Ethyl 2-fluoro-3-amino-3-phenyl-2-propenoate
CID 67835619
ethyl (E)-3-amino-3-(2-fluorophenyl)prop-2-enoate
CID 67835819

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate (CID 12021528) is ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate is CCOC(=O)/C=C(\N)c1ccc(Br)cc1.
What is the InChIKey of ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate?
The InChIKey is GGKNKAAFXHKJNR-YFHOEESVSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-7H,2,13H2,1H3/b10-7-.
What are the key properties of ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate?
ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate has a molecular weight of 270.13 g/mol, XLogP of 2.31, 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-3-(4-bromophenyl)prop-2-enoate is sourced from PubChem (CID 12021528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).