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

C11H14BrNO2 — CID 3302448

IUPACethyl 2-amino-3-(2-bromophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeySRZGZYFLLSBJSE-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.88
Rot. Bonds4

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

ethyl 2-amino-3-(2-bromophenyl)propanoate (PubChem CID 3302448) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-bromophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-bromophenyl)propanoate
PubChem CID3302448
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-amino-3-(2-bromophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeySRZGZYFLLSBJSE-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
benzyl 2-amino-3-(2-bromophenyl)propanoate
CID 23133270
ethyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
CID 170884939
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
ethyl (2S)-2-amino-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]propanoate
CID 175720445
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885411
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-bromophenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-bromophenyl)propanoate (CID 3302448) is ethyl 2-amino-3-(2-bromophenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-bromophenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-bromophenyl)propanoate is CCOC(=O)C(N)Cc1ccccc1Br.
What is the InChIKey of ethyl 2-amino-3-(2-bromophenyl)propanoate?
The InChIKey is SRZGZYFLLSBJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-bromophenyl)propanoate?
ethyl 2-amino-3-(2-bromophenyl)propanoate has a molecular weight of 272.14 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-bromophenyl)propanoate is sourced from PubChem (CID 3302448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).