2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid

C10H11BrFNO2 — CID 43442279

IUPAC2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c1-13(6-10(14)15)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyHKLRWKPSLXPBBP-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.10
Rot. Bonds4

About 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid

2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid (PubChem CID 43442279) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid
PubChem CID43442279
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c1-13(6-10(14)15)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyHKLRWKPSLXPBBP-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid (CID 43442279) is 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid?
The InChIKey is HKLRWKPSLXPBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-13(6-10(14)15)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid?
2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid has a molecular weight of 276.11 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 43442279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).