2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid

C13H15NO4 — CID 114217784

IUPAC2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1occc1C(=O)N1CC2CCC1C2
InChIInChI=1S/C13H15NO4/c15-12(16)6-11-10(3-4-18-11)13(17)14-7-8-1-2-9(14)5-8/h3-4,8-9H,1-2,5-7H2,(H,15,16)
InChIKeyRRWCMVUJIDPQLM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.53
Rot. Bonds3

About 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid

2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid (PubChem CID 114217784) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid
PubChem CID114217784
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1occc1C(=O)N1CC2CCC1C2
InChIInChI=1S/C13H15NO4/c15-12(16)6-11-10(3-4-18-11)13(17)14-7-8-1-2-9(14)5-8/h3-4,8-9H,1-2,5-7H2,(H,15,16)
InChIKeyRRWCMVUJIDPQLM-UHFFFAOYSA-N
XLogP1.53
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid
CID 114217838
2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217804
2-[3-(2-methylazepane-1-carbonyl)furan-2-yl]acetic acid
CID 114217823
2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217888
2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid
CID 107340584
2-azabicyclo[2.2.1]heptan-2-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547762
2-azabicyclo[2.2.1]heptan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 61072122
(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 62159557
(2-amino-3-methylphenyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 54976231
2-azabicyclo[2.2.1]heptan-2-yl-(2,5-difluoro-4-nitrophenyl)methanone
CID 115736182
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
CID 61072408
2-[4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)triazol-1-yl]acetic acid
CID 66289386

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid (CID 114217784) is 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid is O=C(O)Cc1occc1C(=O)N1CC2CCC1C2.
What is the InChIKey of 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid?
The InChIKey is RRWCMVUJIDPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)6-11-10(3-4-18-11)13(17)14-7-8-1-2-9(14)5-8/h3-4,8-9H,1-2,5-7H2,(H,15,16).
What are the key properties of 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid?
2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid is sourced from PubChem (CID 114217784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).