ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate

C11H14BrNO2 — CID 10730860

IUPACethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
SMILESCCOC(=O)[C@](C)(N)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-3-15-10(14)11(2,13)8-4-6-9(12)7-5-8/h4-7H,3,13H2,1-2H3/t11-/m1/s1
InChIKeyUIHYJSVUZKBTQY-LLVKDONJSA-N
MW272.14 g/mol
LogP2.19
Rot. Bonds3

About ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate

ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate (PubChem CID 10730860) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
PubChem CID10730860
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
SMILESCCOC(=O)[C@](C)(N)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-3-15-10(14)11(2,13)8-4-6-9(12)7-5-8/h4-7H,3,13H2,1-2H3/t11-/m1/s1
InChIKeyUIHYJSVUZKBTQY-LLVKDONJSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl 3-(4-bromophenyl)-3-fluorobutanoate
CID 146012954
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
diethyl 2-(4-bromophenyl)-2-(hydroxymethyl)propanedioate
CID 170992989
ethyl 3-(4-bromophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397381
ethyl 3-[4-(4-bromophenyl)phenyl]-3-hydroxybutanoate
CID 22718779
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylpropanoate
CID 61002025
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylbutanoate
CID 61002494
ethyl 2-(4-bromophenyl)-4-cyano-2-methylbutanoate
CID 117049674
2-(4-bromophenyl)-2-ethoxycarbonyl-4-hydroxybutanoic acid
CID 103975020

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate?
The IUPAC name of ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate (CID 10730860) is ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate is CCOC(=O)[C@](C)(N)c1ccc(Br)cc1.
What is the InChIKey of ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate?
The InChIKey is UIHYJSVUZKBTQY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-15-10(14)11(2,13)8-4-6-9(12)7-5-8/h4-7H,3,13H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate?
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate has a molecular weight of 272.14 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate is sourced from PubChem (CID 10730860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).