2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid

C11H15Br2NO3 — CID 65063813

IUPAC2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1cc(Br)c(Br)o1
InChIInChI=1S/C11H15Br2NO3/c1-7(2)4-14(6-10(15)16)5-8-3-9(12)11(13)17-8/h3,7H,4-6H2,1-2H3,(H,15,16)
InChIKeyVLLGXZONJHKACG-UHFFFAOYSA-N
MW369.05 g/mol
LogP3.35
Rot. Bonds6

About 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid

2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 65063813) has the molecular formula C11H15Br2NO3 and a molecular weight of 369.05 g/mol. Its IUPAC name is 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID65063813
Molecular FormulaC11H15Br2NO3
Molecular Weight369.05 g/mol
Exact Mass366.94
IUPAC Name2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1cc(Br)c(Br)o1
InChIInChI=1S/C11H15Br2NO3/c1-7(2)4-14(6-10(15)16)5-8-3-9(12)11(13)17-8/h3,7H,4-6H2,1-2H3,(H,15,16)
InChIKeyVLLGXZONJHKACG-UHFFFAOYSA-N
XLogP3.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.05
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid (CID 65063813) is 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)Cc1cc(Br)c(Br)o1.
What is the InChIKey of 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is VLLGXZONJHKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3/c1-7(2)4-14(6-10(15)16)5-8-3-9(12)11(13)17-8/h3,7H,4-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 369.05 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65063813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).