2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid

C13H15NO5 — CID 114217845

IUPAC2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1occc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H15NO5/c15-12(16)6-11-8(3-4-18-11)13(17)14-9-5-7-1-2-10(9)19-7/h3-4,7,9-10H,1-2,5-6H2,(H,14,17)(H,15,16)
InChIKeyFLAVZTQPEAOIDH-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.96
Rot. Bonds4

About 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid

2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid (PubChem CID 114217845) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid
PubChem CID114217845
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1occc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H15NO5/c15-12(16)6-11-8(3-4-18-11)13(17)14-9-5-7-1-2-10(9)19-7/h3-4,7,9-10H,1-2,5-6H2,(H,14,17)(H,15,16)
InChIKeyFLAVZTQPEAOIDH-UHFFFAOYSA-N
XLogP0.96
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103258454
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946
4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112702474
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 120822376
2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid
CID 114217838
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80732424
2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide
CID 80711997
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716084
3,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113358348

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid (CID 114217845) is 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid is O=C(O)Cc1occc1C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid?
The InChIKey is FLAVZTQPEAOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)6-11-8(3-4-18-11)13(17)14-9-5-7-1-2-10(9)19-7/h3-4,7,9-10H,1-2,5-6H2,(H,14,17)(H,15,16).
What are the key properties of 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid?
2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid has a molecular weight of 265.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid is sourced from PubChem (CID 114217845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).