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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Related Compounds

1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone
CID 58584462
6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid
CID 70906727
(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 130287773
(1S,5R)-3-benzyl-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164047
3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 154014382
[1-[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl] 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58932380
3-amino-1-ethylcyclobutan-1-ol
CID 80561372
(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid
CID 68577410
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
(1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164101
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146425848
(1R,2R,4S)-7-(2-cyclopentylacetyl)-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146043446

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).