2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate

C14H15NO3 — CID 39348590

IUPAC2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C14H15NO3/c16-14(17)11-15(10-13-7-4-8-18-13)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,17)
InChIKeyGHZJDCHQOJZDFL-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.39
Rot. Bonds6

About 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate

2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate (PubChem CID 39348590) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate
PubChem CID39348590
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C14H15NO3/c16-14(17)11-15(10-13-7-4-8-18-13)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,17)
InChIKeyGHZJDCHQOJZDFL-UHFFFAOYSA-N
XLogP-0.39
TPSA57.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate
CID 39239769
bis(furan-2-ylmethyl)-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 8840703
benzyl 2-(furan-2-yl)acetate
CID 11447250
[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841313
2-(furan-2-ylmethylazaniumyl)acetate
CID 28743082
furan-2-carboxylic acid;gold
CID 174701575
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
cesium furan-2-carboxylate
CID 140900702
sodium furan-2-carboxylate
CID 19205589
chromium(3+);tris(furan-2-carboxylate)
CID 158568014
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate (CID 39348590) is 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate is O=C([O-])C[NH+](Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate?
The InChIKey is GHZJDCHQOJZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-14(17)11-15(10-13-7-4-8-18-13)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,17).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate?
2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate has a molecular weight of 245.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate is sourced from PubChem (CID 39348590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).