methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride

C10H12Br2ClNO2 — CID 171244280

IUPACmethyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C10H11Br2NO2.ClH/c1-15-10(14)5-9(13)6-2-7(11)4-8(12)3-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m0./s1
InChIKeyRSGWJSNJSCGYGV-FVGYRXGTSA-N
MW373.47 g/mol
LogP3.20
Rot. Bonds3

About methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride

methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride (PubChem CID 171244280) has the molecular formula C10H12Br2ClNO2 and a molecular weight of 373.47 g/mol. Its IUPAC name is methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride
PubChem CID171244280
Molecular FormulaC10H12Br2ClNO2
Molecular Weight373.47 g/mol
Exact Mass370.89
IUPAC Namemethyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C10H11Br2NO2.ClH/c1-15-10(14)5-9(13)6-2-7(11)4-8(12)3-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m0./s1
InChIKeyRSGWJSNJSCGYGV-FVGYRXGTSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;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

methyl (3S)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242048
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
methyl (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propanoate
CID 171248588
methyl (3R)-3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171245726
methyl (3S)-3-amino-3-(3-bromo-4-methylphenyl)propanoate
CID 103694355
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
methyl (3S)-3-amino-3-(3-bromo-4-methoxyphenyl)propanoate
CID 93454839
methyl 3-amino-3-(3-bromo-4-chlorophenyl)propanoate
CID 115563535
deuterioethane;methyl (3S)-3-amino-3-(3-bromophenyl)propanoate;methyl (3S)-3-(3-bromophenyl)butanoate
CID 159193072
methyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171243036
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride (CID 171244280) is methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride is COC(=O)C[C@H](N)c1cc(Br)cc(Br)c1.Cl.
What is the InChIKey of methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride?
The InChIKey is RSGWJSNJSCGYGV-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11Br2NO2.ClH/c1-15-10(14)5-9(13)6-2-7(11)4-8(12)3-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m0./s1.
What are the key properties of methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride?
methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride has a molecular weight of 373.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride is sourced from PubChem (CID 171244280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).