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

C10H12BrNO3 — CID 124681138

IUPAC(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
SMILESCN[C@@H](C(=O)O)c1cc(OC)ccc1Br
InChIInChI=1S/C10H12BrNO3/c1-12-9(10(13)14)7-5-6(15-2)3-4-8(7)11/h3-5,9,12H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyFSKRWWSQMTVCPX-SECBINFHSA-N
MW274.11 g/mol
LogP1.80
Rot. Bonds4

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

(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid (PubChem CID 124681138) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
PubChem CID124681138
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
SMILESCN[C@@H](C(=O)O)c1cc(OC)ccc1Br
InChIInChI=1S/C10H12BrNO3/c1-12-9(10(13)14)7-5-6(15-2)3-4-8(7)11/h3-5,9,12H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyFSKRWWSQMTVCPX-SECBINFHSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681142
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
CID 103845987
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
2-(2-bromo-5-methoxyphenyl)-N-tert-butyl-2-chloroacetamide
CID 114078030
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-(2,5-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60795865
2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
CID 150726546
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid?
The IUPAC name of (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid (CID 124681138) is (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid is CN[C@@H](C(=O)O)c1cc(OC)ccc1Br.
What is the InChIKey of (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid?
The InChIKey is FSKRWWSQMTVCPX-SECBINFHSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12-9(10(13)14)7-5-6(15-2)3-4-8(7)11/h3-5,9,12H,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid?
(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid has a molecular weight of 274.11 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 124681138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).