3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C10H17NO3 — CID 89088947

IUPAC3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCCC1(O)CC2CCC(C1)N2C(=O)O
InChIInChI=1S/C10H17NO3/c1-2-10(14)5-7-3-4-8(6-10)11(7)9(12)13/h7-8,14H,2-6H2,1H3,(H,12,13)
InChIKeyUHYHZMADLURNMC-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.43
Rot. Bonds1

About 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid

3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 89088947) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID89088947
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCCC1(O)CC2CCC(C1)N2C(=O)O
InChIInChI=1S/C10H17NO3/c1-2-10(14)5-7-3-4-8(6-10)11(7)9(12)13/h7-8,14H,2-6H2,1H3,(H,12,13)
InChIKeyUHYHZMADLURNMC-UHFFFAOYSA-N
XLogP1.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 89088947) is 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is CCC1(O)CC2CCC(C1)N2C(=O)O.
What is the InChIKey of 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is UHYHZMADLURNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-10(14)5-7-3-4-8(6-10)11(7)9(12)13/h7-8,14H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 89088947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).