2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid

C8H10BrNO3 — CID 106889491

IUPAC2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1occc1Br
InChIInChI=1S/C8H10BrNO3/c1-10(5-8(11)12)4-7-6(9)2-3-13-7/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyBLWNHNKUYBIUSU-UHFFFAOYSA-N
MW248.08 g/mol
LogP1.56
Rot. Bonds4

About 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid

2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid (PubChem CID 106889491) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid
PubChem CID106889491
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1occc1Br
InChIInChI=1S/C8H10BrNO3/c1-10(5-8(11)12)4-7-6(9)2-3-13-7/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyBLWNHNKUYBIUSU-UHFFFAOYSA-N
XLogP1.56
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid (CID 106889491) is 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1occc1Br.
What is the InChIKey of 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid?
The InChIKey is BLWNHNKUYBIUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c1-10(5-8(11)12)4-7-6(9)2-3-13-7/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid?
2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid has a molecular weight of 248.08 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 106889491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).