(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid

C9H10BrNO3 — CID 96589023

IUPAC(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
SMILESN[C@H](Cc1c(O)cccc1Br)C(=O)O
InChIInChI=1S/C9H10BrNO3/c10-6-2-1-3-8(12)5(6)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyZUFWVBITJVRKAX-SSDOTTSWSA-N
MW260.09 g/mol
LogP1.11
Rot. Bonds3

About (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid

(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid (PubChem CID 96589023) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
PubChem CID96589023
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
SMILESN[C@H](Cc1c(O)cccc1Br)C(=O)O
InChIInChI=1S/C9H10BrNO3/c10-6-2-1-3-8(12)5(6)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyZUFWVBITJVRKAX-SSDOTTSWSA-N
XLogP1.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(6-bromo-2,3-dihydroxyphenyl)propanoic acid
CID 117441558
3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
CID 84738183
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid
CID 84810240
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-(2,4,6-trihydroxyphenyl)propanoic acid;hydrochloride
CID 91928391
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;3-bromo-2-hydroxybenzaldehyde
CID 88841213
2-amino-3-(3-bromo-4-hydroxy-2,6-dimethylphenyl)propanoic acid
CID 117464878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid (CID 96589023) is (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid is N[C@H](Cc1c(O)cccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid?
The InChIKey is ZUFWVBITJVRKAX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-6-2-1-3-8(12)5(6)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid?
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid has a molecular weight of 260.09 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 96589023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).