methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride

C11H15BrClNO2 — CID 56972079

IUPACmethyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)[C@](C)(N)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8;/h3-6H,7,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyLLXPRZUIRZKJSV-RFVHGSKJSA-N
MW308.60 g/mol
LogP2.30
Rot. Bonds3

About methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride

methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride (PubChem CID 56972079) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
PubChem CID56972079
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Namemethyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)[C@](C)(N)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8;/h3-6H,7,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyLLXPRZUIRZKJSV-RFVHGSKJSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride 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

isocyanic acid;methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate
CID 172715255
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
2-[(4-bromophenyl)methoxy]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 58354452
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)-2-methylpropanoate
CID 90842063
methyl (2R)-3-amino-2-[(4-bromophenyl)methyl]-2-(4-methylphenyl)-3-oxopropanoate
CID 134948255
methyl 2-[(4-bromophenyl)methoxy]-2-methyl-3-(methylamino)-3-oxopropanoate
CID 58354422
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
(4-bromophenyl)methyl 2-amino-2-ethylbutanoate
CID 82823398
tert-butyl (2S)-2-amino-3-(4-tert-butylphenyl)-2-methylpropanoate
CID 101249445
methyl 2-amino-2-(4-bromophenyl)butanoate
CID 60795428
3-O-tert-butyl 1-O-methyl (2S)-2-amino-2-[(4-aminophenyl)methyl]propanedioate
CID 175471654

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride (CID 56972079) is methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride is COC(=O)[C@](C)(N)Cc1ccc(Br)cc1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride?
The InChIKey is LLXPRZUIRZKJSV-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H14BrNO2.ClH/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8;/h3-6H,7,13H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride?
methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride has a molecular weight of 308.60 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 56972079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).