methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate

C10H9BrClNO2 — CID 145367768

IUPACmethyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate
SMILESCOC(=O)/C(N)=C/c1cccc(Br)c1Cl
InChIInChI=1S/C10H9BrClNO2/c1-15-10(14)8(13)5-6-3-2-4-7(11)9(6)12/h2-5H,13H2,1H3/b8-5-
InChIKeyWYCYSZCIAXLWEV-YVMONPNESA-N
MW290.54 g/mol
LogP2.58
Rot. Bonds2

About methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate

methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate (PubChem CID 145367768) has the molecular formula C10H9BrClNO2 and a molecular weight of 290.54 g/mol. Its IUPAC name is methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate
PubChem CID145367768
Molecular FormulaC10H9BrClNO2
Molecular Weight290.54 g/mol
Exact Mass288.95
IUPAC Namemethyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate
SMILESCOC(=O)/C(N)=C/c1cccc(Br)c1Cl
InChIInChI=1S/C10H9BrClNO2/c1-15-10(14)8(13)5-6-3-2-4-7(11)9(6)12/h2-5H,13H2,1H3/b8-5-
InChIKeyWYCYSZCIAXLWEV-YVMONPNESA-N
XLogP2.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate (CID 145367768) is methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate is COC(=O)/C(N)=C/c1cccc(Br)c1Cl.
What is the InChIKey of methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate?
The InChIKey is WYCYSZCIAXLWEV-YVMONPNESA-N. The full InChI is InChI=1S/C10H9BrClNO2/c1-15-10(14)8(13)5-6-3-2-4-7(11)9(6)12/h2-5H,13H2,1H3/b8-5-.
What are the key properties of methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate?
methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate has a molecular weight of 290.54 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 145367768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).