1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone

C17H29NO3 — CID 58584462

IUPAC1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone
SMILESCCC1(O)CC2CCC(C1)N2C(=O)C(O)C1(C(C)C)CC1
InChIInChI=1S/C17H29NO3/c1-4-16(21)9-12-5-6-13(10-16)18(12)15(20)14(19)17(7-8-17)11(2)3/h11-14,19,21H,4-10H2,1-3H3
InChIKeyRUGUDOXFXXSPJW-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.08
Rot. Bonds4

About 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone

1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone (PubChem CID 58584462) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone
PubChem CID58584462
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone
SMILESCCC1(O)CC2CCC(C1)N2C(=O)C(O)C1(C(C)C)CC1
InChIInChI=1S/C17H29NO3/c1-4-16(21)9-12-5-6-13(10-16)18(12)15(20)14(19)17(7-8-17)11(2)3/h11-14,19,21H,4-10H2,1-3H3
InChIKeyRUGUDOXFXXSPJW-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone with MolForge

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Related Compounds

3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 89088947
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
CID 54261478
1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpentan-1-one
CID 134454469
(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one
CID 124677062
2-ethyl-1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 134454435
(2S)-2-amino-1-[(1S,5S)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 124828307
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methoxypropan-1-one
CID 115635293
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
2-chloro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769060
2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 107905266
N-(4-ethyl-4-hydroxycyclohexyl)acetamide
CID 131153835
6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid
CID 70906727

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone?
The IUPAC name of 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone (CID 58584462) is 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone?
The canonical SMILES for 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone is CCC1(O)CC2CCC(C1)N2C(=O)C(O)C1(C(C)C)CC1.
What is the InChIKey of 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone?
The InChIKey is RUGUDOXFXXSPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-16(21)9-12-5-6-13(10-16)18(12)15(20)14(19)17(7-8-17)11(2)3/h11-14,19,21H,4-10H2,1-3H3.
What are the key properties of 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone?
1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone has a molecular weight of 295.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-(1-propan-2-ylcyclopropyl)ethanone is sourced from PubChem (CID 58584462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).