2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid

C10H11BrFNO3 — CID 117471361

IUPAC2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(Br)c(F)c(C(N)C(=O)O)c1
InChIInChI=1S/C10H11BrFNO3/c1-16-4-5-2-6(9(13)10(14)15)8(12)7(11)3-5/h2-3,9H,4,13H2,1H3,(H,14,15)
InChIKeyJJEQZJPGGRYBRR-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid

2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid (PubChem CID 117471361) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid
PubChem CID117471361
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(Br)c(F)c(C(N)C(=O)O)c1
InChIInChI=1S/C10H11BrFNO3/c1-16-4-5-2-6(9(13)10(14)15)8(12)7(11)3-5/h2-3,9H,4,13H2,1H3,(H,14,15)
InChIKeyJJEQZJPGGRYBRR-UHFFFAOYSA-N
XLogP1.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propanoic acid
CID 117491138
2-amino-2-[5-bromo-2-fluoro-3-(methoxymethyl)phenyl]acetic acid
CID 117471362
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117490387
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
CID 117441898
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]butanal
CID 117466879
2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid
CID 117439532
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246
2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117323071
2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol
CID 83904365
2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid
CID 84807691
3-amino-2-[5-bromo-2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117491139
3-(3-bromo-4-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117466931

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid (CID 117471361) is 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid is COCc1cc(Br)c(F)c(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid?
The InChIKey is JJEQZJPGGRYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c1-16-4-5-2-6(9(13)10(14)15)8(12)7(11)3-5/h2-3,9H,4,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid?
2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid has a molecular weight of 292.10 g/mol, XLogP of 1.82, 4 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-2-fluoro-5-(methoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 117471361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).