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

C11H11BrFNO3 — CID 119225524

IUPAC2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccc(F)c(Br)c1)C(=O)O
InChIInChI=1S/C11H11BrFNO3/c1-6(11(16)17)14-10(15)5-7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyVDFLZQARQBKRKE-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.72
Rot. Bonds4

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

2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid (PubChem CID 119225524) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
PubChem CID119225524
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccc(F)c(Br)c1)C(=O)O
InChIInChI=1S/C11H11BrFNO3/c1-6(11(16)17)14-10(15)5-7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyVDFLZQARQBKRKE-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78905509
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
CID 58627720
3-amino-1-(3-bromo-4-fluorophenyl)butan-2-one
CID 116551731
2-acetamido-3-[(3-bromo-4-fluorophenyl)methylsulfonyl]propanoic acid
CID 107768269
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 86878314
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
1-(3-bromo-4-fluorophenyl)-3-methylhexan-2-one
CID 114964774

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid (CID 119225524) is 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1ccc(F)c(Br)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid?
The InChIKey is VDFLZQARQBKRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-6(11(16)17)14-10(15)5-7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid?
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid has a molecular weight of 304.12 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119225524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).