2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid

C10H11BrFNO2 — CID 43467343

IUPAC2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
SMILESCC(NCc1ccc(F)c(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-6(10(14)15)13-5-7-2-3-9(12)8(11)4-7/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyZARHRTJVOGICOL-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.15
Rot. Bonds4

About 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid

2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid (PubChem CID 43467343) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
PubChem CID43467343
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
SMILESCC(NCc1ccc(F)c(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-6(10(14)15)13-5-7-2-3-9(12)8(11)4-7/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyZARHRTJVOGICOL-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-fluorophenyl)methylamino]propanoic acid
CID 81436719
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
methyl (2S)-2-[(3-bromo-4-fluorophenyl)methylamino]propanoate
CID 43723685
(2S,3S)-2-[(3-bromo-4-fluorophenyl)methylamino]-3-methylpentanoic acid
CID 120510431
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
CID 119225524
2-[(3-bromo-4-fluorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124785
4-[(3-bromo-4-fluorophenyl)methylamino]-3,3-dimethylpentanoic acid
CID 174605975
(2S)-2-[(3-fluoro-4-nitrophenyl)methylamino]propanoic acid
CID 83194383
2-[(3-bromo-4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 61246252
1-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 107859065
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid (CID 43467343) is 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid is CC(NCc1ccc(F)c(Br)c1)C(=O)O.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid?
The InChIKey is ZARHRTJVOGICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(10(14)15)13-5-7-2-3-9(12)8(11)4-7/h2-4,6,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid?
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid has a molecular weight of 276.11 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid is sourced from PubChem (CID 43467343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).