2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid

C13H15NO5 — CID 114217838

IUPAC2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1occc1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H15NO5/c15-12(16)5-11-10(3-4-18-11)13(17)14-6-8-1-2-9(7-14)19-8/h3-4,8-9H,1-2,5-7H2,(H,15,16)
InChIKeyAXPPIUAHXWAACQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.91
Rot. Bonds3

About 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid

2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid (PubChem CID 114217838) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid
PubChem CID114217838
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1occc1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H15NO5/c15-12(16)5-11-10(3-4-18-11)13(17)14-6-8-1-2-9(7-14)19-8/h3-4,8-9H,1-2,5-7H2,(H,15,16)
InChIKeyAXPPIUAHXWAACQ-UHFFFAOYSA-N
XLogP0.91
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid with MolForge

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Related Compounds

2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217888
2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid
CID 114217784
2-[3-(2-methylazepane-1-carbonyl)furan-2-yl]acetic acid
CID 114217823
2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217804
2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid
CID 114217845
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371214
(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371651
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone
CID 114103325
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
(4-hydroxy-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 103865632
(2-methyl-5-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid (CID 114217838) is 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid is O=C(O)Cc1occc1C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid?
The InChIKey is AXPPIUAHXWAACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)5-11-10(3-4-18-11)13(17)14-6-8-1-2-9(7-14)19-8/h3-4,8-9H,1-2,5-7H2,(H,15,16).
What are the key properties of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid?
2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid has a molecular weight of 265.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid is sourced from PubChem (CID 114217838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).