2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid

C14H17NO5 — CID 120822376

IUPAC2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CC3CCC2O3)cc1C(=O)O
InChIInChI=1S/C14H17NO5/c1-2-10-8(14(17)18)6-12(20-10)13(16)15-9-5-7-3-4-11(9)19-7/h6-7,9,11H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyVSHGGILFHLNPRI-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.59
Rot. Bonds4

About 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid

2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid (PubChem CID 120822376) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid
PubChem CID120822376
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CC3CCC2O3)cc1C(=O)O
InChIInChI=1S/C14H17NO5/c1-2-10-8(14(17)18)6-12(20-10)13(16)15-9-5-7-3-4-11(9)19-7/h6-7,9,11H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyVSHGGILFHLNPRI-UHFFFAOYSA-N
XLogP1.59
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
CID 120820629
5-(2-adamantylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822201
2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid
CID 120822597
5-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821087
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822495
2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid
CID 114217845
2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid
CID 120821609
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822593
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
2-(3-aminoprop-1-ynyl)-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 81111849

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid (CID 120822376) is 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid is CCc1oc(C(=O)NC2CC3CCC2O3)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is VSHGGILFHLNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-10-8(14(17)18)6-12(20-10)13(16)15-9-5-7-3-4-11(9)19-7/h6-7,9,11H,2-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid?
2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 120822376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).