ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate

C12H15NO2 — CID 12904653

IUPACethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
SMILESCCOC(=O)/C(N)=C/c1ccccc1C
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)11(13)8-10-7-5-4-6-9(10)2/h4-8H,3,13H2,1-2H3/b11-8-
InChIKeyFUSLOQNZLAYXDU-FLIBITNWSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds3

About ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate

ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate (PubChem CID 12904653) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
PubChem CID12904653
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
SMILESCCOC(=O)/C(N)=C/c1ccccc1C
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)11(13)8-10-7-5-4-6-9(10)2/h4-8H,3,13H2,1-2H3/b11-8-
InChIKeyFUSLOQNZLAYXDU-FLIBITNWSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (Z)-2-amino-3-(2-methylphenyl)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

ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206
ethyl (Z)-2-amino-3-(4-benzylthiophen-3-yl)prop-2-enoate
CID 163627306
ethane;ethyl (Z)-2-amino-3-(4-bromo-2-methylphenyl)prop-2-enoate
CID 156715582
ethyl (Z)-2-amino-3-(3-bromo-2-methoxyphenyl)prop-2-enoate
CID 144511366
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499
ethyl (Z)-2-amino-3-(2-bromo-4-methylphenyl)prop-2-enoate
CID 129236384
ethane;(1Z)-3-methyl-1-(2-methylphenyl)buta-1,3-dien-2-amine
CID 172565349
ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
ethyl (2E)-2-[(2-formylphenyl)methylidene]butanoate
CID 57427552
ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate
CID 67118147
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
ethyl (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate (CID 12904653) is ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate is CCOC(=O)/C(N)=C/c1ccccc1C.
What is the InChIKey of ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate?
The InChIKey is FUSLOQNZLAYXDU-FLIBITNWSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(14)11(13)8-10-7-5-4-6-9(10)2/h4-8H,3,13H2,1-2H3/b11-8-.
What are the key properties of ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate?
ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate is sourced from PubChem (CID 12904653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).