methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride

C10H13Br2ClN2O2 — CID 11545546

IUPACmethyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1cc(Br)c(N)c(Br)c1.Cl
InChIInChI=1S/C10H12Br2N2O2.ClH/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5;/h2-3,8H,4,13-14H2,1H3;1H/t8-;/m1./s1
InChIKeyWZGCCAUDJQUHKM-DDWIOCJRSA-N
MW388.49 g/mol
LogP2.26
Rot. Bonds3

About methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride

methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride (PubChem CID 11545546) has the molecular formula C10H13Br2ClN2O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride
PubChem CID11545546
Molecular FormulaC10H13Br2ClN2O2
Molecular Weight388.49 g/mol
Exact Mass385.90
IUPAC Namemethyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1cc(Br)c(N)c(Br)c1.Cl
InChIInChI=1S/C10H12Br2N2O2.ClH/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5;/h2-3,8H,4,13-14H2,1H3;1H/t8-;/m1./s1
InChIKeyWZGCCAUDJQUHKM-DDWIOCJRSA-N
XLogP2.26
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-(3,5-dibromophenyl)propanoate
CID 134210491
methyl (2S)-2-amino-3-(3-bromo-4-chlorophenyl)propanoate;hydrochloride
CID 68768672
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
methyl (2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoate
CID 68768500
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
methyl (2S)-2-amino-3-(4-amino-3-chloro-5-methylphenyl)propanoate
CID 171238397
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-amino-5-[(2R)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 171237983
methyl (2S)-2-amino-3-[3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanoate
CID 11523545
methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-2,6-difluorobenzoic acid
CID 171238392

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride (CID 11545546) is methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride is COC(=O)[C@H](N)Cc1cc(Br)c(N)c(Br)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride?
The InChIKey is WZGCCAUDJQUHKM-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H12Br2N2O2.ClH/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5;/h2-3,8H,4,13-14H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride has a molecular weight of 388.49 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride is sourced from PubChem (CID 11545546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).