3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid

C10H11BrFNO2 — CID 84810828

IUPAC3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid
SMILESCc1ccc(Br)c(F)c1C(N)CC(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-5-2-3-6(11)10(12)9(5)7(13)4-8(14)15/h2-3,7H,4,13H2,1H3,(H,14,15)
InChIKeyFJGBVLOZQFRIGE-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.37
Rot. Bonds3

About 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid

3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid (PubChem CID 84810828) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid
PubChem CID84810828
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid
SMILESCc1ccc(Br)c(F)c1C(N)CC(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-5-2-3-6(11)10(12)9(5)7(13)4-8(14)15/h2-3,7H,4,13H2,1H3,(H,14,15)
InChIKeyFJGBVLOZQFRIGE-UHFFFAOYSA-N
XLogP2.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(3-bromo-2,6-difluorophenyl)propanoic acid
CID 117449262
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
4-amino-4-(6-bromo-2-fluoro-3-methylphenyl)butanoic acid
CID 117468254
ethyl (3R)-3-amino-3-(3-bromo-2,6-difluorophenyl)propanoate
CID 171205164
2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
(3R)-3-amino-3-(4-bromo-3-methylphenyl)propanoic acid;hydrochloride
CID 162344228
(3R)-3-amino-3-(2,3,6-trifluorophenyl)propanoic acid;hydrochloride
CID 162344590
3-amino-3-(4-bromo-2,6-difluorophenyl)propanoic acid
CID 117449260
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-amino-3-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]propanoic acid
CID 117401245

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid (CID 84810828) is 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid is Cc1ccc(Br)c(F)c1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid?
The InChIKey is FJGBVLOZQFRIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-5-2-3-6(11)10(12)9(5)7(13)4-8(14)15/h2-3,7H,4,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid?
3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid has a molecular weight of 276.10 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid is sourced from PubChem (CID 84810828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).