(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid

C9H10BrNO3 — CID 7046821

IUPAC(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
SMILESCOc1ccc(Br)cc1[C@@H](N)C(=O)O
InChIInChI=1S/C9H10BrNO3/c1-14-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyGCRUCIXWROVKQR-MRVPVSSYSA-N
MW260.09 g/mol
LogP1.54
Rot. Bonds3

About (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid

(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid (PubChem CID 7046821) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
PubChem CID7046821
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
SMILESCOc1ccc(Br)cc1[C@@H](N)C(=O)O
InChIInChI=1S/C9H10BrNO3/c1-14-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyGCRUCIXWROVKQR-MRVPVSSYSA-N
XLogP1.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116940685
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
CID 43753884
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
CID 61327800
ethyl (3R)-3-amino-3-(5-bromo-2-methoxyphenyl)-2-fluoropropanoate
CID 171240179
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid (CID 7046821) is (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid is COc1ccc(Br)cc1[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid?
The InChIKey is GCRUCIXWROVKQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-14-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid?
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid has a molecular weight of 260.09 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid is sourced from PubChem (CID 7046821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).