2-(furan-2-ylmethylazaniumyl)acetate

C7H9NO3 — CID 28743082

IUPAC2-(furan-2-ylmethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]Cc1ccco1
InChIInChI=1S/C7H9NO3/c9-7(10)5-8-4-6-2-1-3-11-6/h1-3,8H,4-5H2,(H,9,10)
InChIKeyNDTZKVFBYRLVQG-UHFFFAOYSA-N
MW155.15 g/mol
LogP-1.91
Rot. Bonds4

About 2-(furan-2-ylmethylazaniumyl)acetate

2-(furan-2-ylmethylazaniumyl)acetate (PubChem CID 28743082) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(furan-2-ylmethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(furan-2-ylmethylazaniumyl)acetate
PubChem CID28743082
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(furan-2-ylmethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]Cc1ccco1
InChIInChI=1S/C7H9NO3/c9-7(10)5-8-4-6-2-1-3-11-6/h1-3,8H,4-5H2,(H,9,10)
InChIKeyNDTZKVFBYRLVQG-UHFFFAOYSA-N
XLogP-1.91
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium
CID 7131564
(2S)-2-(furan-2-ylmethylazaniumyl)pentanedioate
CID 7018217
furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450813
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
(3R)-4-(4-chloroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 7320147
4-(4-chloroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 4918988
(3S)-3-(furan-2-ylmethylazaniumyl)-4-(N-methylanilino)-4-oxobutanoate
CID 7460513
2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate
CID 39239769
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium
CID 7434647
(3S)-4-(2-bromoanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 7439560
(3R)-3-azaniumyl-3-(furan-2-yl)propanoate
CID 7145288

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylazaniumyl)acetate?
The IUPAC name of 2-(furan-2-ylmethylazaniumyl)acetate (CID 28743082) is 2-(furan-2-ylmethylazaniumyl)acetate.
What is the SMILES notation for 2-(furan-2-ylmethylazaniumyl)acetate?
The canonical SMILES for 2-(furan-2-ylmethylazaniumyl)acetate is O=C([O-])C[NH2+]Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylazaniumyl)acetate?
The InChIKey is NDTZKVFBYRLVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-7(10)5-8-4-6-2-1-3-11-6/h1-3,8H,4-5H2,(H,9,10).
What are the key properties of 2-(furan-2-ylmethylazaniumyl)acetate?
2-(furan-2-ylmethylazaniumyl)acetate has a molecular weight of 155.15 g/mol, XLogP of -1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylazaniumyl)acetate is sourced from PubChem (CID 28743082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).