2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride

C10H13BrClNO3 — CID 82135336

IUPAC2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc(C(C)(N)C(=O)O)cc1Br.Cl
InChIInChI=1S/C10H12BrNO3.ClH/c1-10(12,9(13)14)6-3-4-8(15-2)7(11)5-6;/h3-5H,12H2,1-2H3,(H,13,14);1H
InChIKeyKOKROLNELOXMLY-UHFFFAOYSA-N
MW310.58 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride

2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride (PubChem CID 82135336) has the molecular formula C10H13BrClNO3 and a molecular weight of 310.58 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
PubChem CID82135336
Molecular FormulaC10H13BrClNO3
Molecular Weight310.58 g/mol
Exact Mass308.98
IUPAC Name2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc(C(C)(N)C(=O)O)cc1Br.Cl
InChIInChI=1S/C10H12BrNO3.ClH/c1-10(12,9(13)14)6-3-4-8(15-2)7(11)5-6;/h3-5H,12H2,1-2H3,(H,13,14);1H
InChIKeyKOKROLNELOXMLY-UHFFFAOYSA-N
XLogP2.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid
CID 90098257
3-(3-bromo-4-methoxyphenyl)-3,3-difluoropropanoic acid
CID 116838347
(2-bromo-4-tert-butylphenyl) 3-bromo-4-methoxybenzoate
CID 3357390
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
3-(3-bromo-4-methoxyphenyl)-3-hydroxypentanoic acid
CID 82050101
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
(2S)-2-amino-2-[3,4-di(propanoyloxy)phenyl]propanoic acid
CID 69169012
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
CID 115140275
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176120

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride (CID 82135336) is 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride is COc1ccc(C(C)(N)C(=O)O)cc1Br.Cl.
What is the InChIKey of 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride?
The InChIKey is KOKROLNELOXMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3.ClH/c1-10(12,9(13)14)6-3-4-8(15-2)7(11)5-6;/h3-5H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride?
2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride has a molecular weight of 310.58 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 82135336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).