ethyl 2-(3-amino-5-bromophenyl)propanoate

C11H14BrNO2 — CID 134632786

IUPACethyl 2-(3-amino-5-bromophenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(N)cc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)7(2)8-4-9(12)6-10(13)5-8/h4-7H,3,13H2,1-2H3
InChIKeyQOEVXKLPAGYBCT-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.70
Rot. Bonds3

About ethyl 2-(3-amino-5-bromophenyl)propanoate

ethyl 2-(3-amino-5-bromophenyl)propanoate (PubChem CID 134632786) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 2-(3-amino-5-bromophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-amino-5-bromophenyl)propanoate
PubChem CID134632786
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-(3-amino-5-bromophenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(N)cc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)7(2)8-4-9(12)6-10(13)5-8/h4-7H,3,13H2,1-2H3
InChIKeyQOEVXKLPAGYBCT-UHFFFAOYSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807
ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate
CID 117463051
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
ethyl (2S)-2-(2-amino-4-bromophenyl)propanoate
CID 162468929
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
3-bromo-5-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171898518
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-5-bromophenyl)propanoate?
The IUPAC name of ethyl 2-(3-amino-5-bromophenyl)propanoate (CID 134632786) is ethyl 2-(3-amino-5-bromophenyl)propanoate.
What is the SMILES notation for ethyl 2-(3-amino-5-bromophenyl)propanoate?
The canonical SMILES for ethyl 2-(3-amino-5-bromophenyl)propanoate is CCOC(=O)C(C)c1cc(N)cc(Br)c1.
What is the InChIKey of ethyl 2-(3-amino-5-bromophenyl)propanoate?
The InChIKey is QOEVXKLPAGYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-15-11(14)7(2)8-4-9(12)6-10(13)5-8/h4-7H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(3-amino-5-bromophenyl)propanoate?
ethyl 2-(3-amino-5-bromophenyl)propanoate has a molecular weight of 272.14 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-5-bromophenyl)propanoate is sourced from PubChem (CID 134632786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).