2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate

C10H15NO3 — CID 39239769

IUPAC2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate
SMILESCC(C)[NH+](CC(=O)[O-])Cc1ccco1
InChIInChI=1S/C10H15NO3/c1-8(2)11(7-10(12)13)6-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3,(H,12,13)
InChIKeyAGLWZPPDSJKXHP-UHFFFAOYSA-N
MW197.23 g/mol
LogP-1.18
Rot. Bonds5

About 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate

2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate (PubChem CID 39239769) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate
PubChem CID39239769
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate
SMILESCC(C)[NH+](CC(=O)[O-])Cc1ccco1
InChIInChI=1S/C10H15NO3/c1-8(2)11(7-10(12)13)6-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3,(H,12,13)
InChIKeyAGLWZPPDSJKXHP-UHFFFAOYSA-N
XLogP-1.18
TPSA57.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate
CID 39348590
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
(3R)-3-(furan-2-yl)-4-methylpentanoate
CID 7258657
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415
2-(furan-2-ylmethylazaniumyl)acetate
CID 28743082
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium
CID 9332217
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
2-(2-nitropropyl)furan
CID 14929135

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate?
The IUPAC name of 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate (CID 39239769) is 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate.
What is the SMILES notation for 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate?
The canonical SMILES for 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate is CC(C)[NH+](CC(=O)[O-])Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate?
The InChIKey is AGLWZPPDSJKXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8(2)11(7-10(12)13)6-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate?
2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate has a molecular weight of 197.23 g/mol, XLogP of -1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate is sourced from PubChem (CID 39239769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).