methyl (E)-3-(2-aminophenyl)prop-2-enoate

C10H11NO2 — CID 11240788

IUPACmethyl (E)-3-(2-aminophenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1N
InChIInChI=1S/C10H11NO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3/b7-6+
InChIKeyTUQBDQPPBVABFN-VOTSOKGWSA-N
MW177.20 g/mol
LogP1.46
Rot. Bonds2

About methyl (E)-3-(2-aminophenyl)prop-2-enoate

methyl (E)-3-(2-aminophenyl)prop-2-enoate (PubChem CID 11240788) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl (E)-3-(2-aminophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-aminophenyl)prop-2-enoate
PubChem CID11240788
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl (E)-3-(2-aminophenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1N
InChIInChI=1S/C10H11NO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3/b7-6+
InChIKeyTUQBDQPPBVABFN-VOTSOKGWSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(2-aminophenyl)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;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
methyl 3-(2-amino-3-fluorophenyl)prop-2-enoate
CID 85435170
methyl (E)-3-(2-amino-5-bromophenyl)prop-2-enoate
CID 12534991
methyl 3-[2-(carbamothioylamino)phenyl]prop-2-enoate
CID 169357258
methyl 3-(2-amino-4-chlorophenyl)prop-2-enoate
CID 54391756
methyl 3-(2-carbamothioylphenyl)prop-2-enoate
CID 169478978
methyl (E)-3-[2-(propan-2-ylamino)phenyl]prop-2-enoate
CID 122514319
methyl (E)-3-(2-amino-5-tert-butylphenyl)prop-2-enoate
CID 23003531
3-amino-4-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 169479298
methyl (E)-3-[2-(chloromethyl)phenyl]prop-2-enoate
CID 119094981

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-aminophenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2-aminophenyl)prop-2-enoate (CID 11240788) is methyl (E)-3-(2-aminophenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-aminophenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-aminophenyl)prop-2-enoate is COC(=O)/C=C/c1ccccc1N.
What is the InChIKey of methyl (E)-3-(2-aminophenyl)prop-2-enoate?
The InChIKey is TUQBDQPPBVABFN-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3/b7-6+.
What are the key properties of methyl (E)-3-(2-aminophenyl)prop-2-enoate?
methyl (E)-3-(2-aminophenyl)prop-2-enoate has a molecular weight of 177.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-aminophenyl)prop-2-enoate is sourced from PubChem (CID 11240788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).