2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid

C15H19NO5 — CID 120820891

IUPAC2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2C3CCC2CC(O)C3)cc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-2-12-11(15(19)20)7-13(21-12)14(18)16-8-3-4-9(16)6-10(17)5-8/h7-10,17H,2-6H2,1H3,(H,19,20)
InChIKeyOMJGDUXGPCRACJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.67
Rot. Bonds3

About 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid

2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid (PubChem CID 120820891) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
PubChem CID120820891
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2C3CCC2CC(O)C3)cc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-2-12-11(15(19)20)7-13(21-12)14(18)16-8-3-4-9(16)6-10(17)5-8/h7-10,17H,2-6H2,1H3,(H,19,20)
InChIKeyOMJGDUXGPCRACJ-UHFFFAOYSA-N
XLogP1.67
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 75499800
5-[(3R)-3-pentan-3-ylpyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 97827215
(2S)-2-[1-(4,5-diethylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxylic acid
CID 121974663
(3S)-1-[5-methyl-4-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 129539316
(2-Methyl-5-acetyl-3-furoyl)-l-proline
CID 129770069
Methyl (2-methyl-5-acetyl-3-furoyl)-l-proline
CID 129770112
Ethyl (2-methyl-5-acetyl-3-furoyl)-l-proline
CID 129770153
5-[2-[(3-Fluorophenyl)methyl]pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 75477743
5-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 97306256
5-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 97306257
5-[[(5-Fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221975
5-[[(7-Fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221984

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid (CID 120820891) is 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid is CCc1oc(C(=O)N2C3CCC2CC(O)C3)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid?
The InChIKey is OMJGDUXGPCRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-12-11(15(19)20)7-13(21-12)14(18)16-8-3-4-9(16)6-10(17)5-8/h7-10,17H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid?
2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120820891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).