3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C9H16N2O2 — CID 78955075

IUPAC3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C9H16N2O2/c1-10-9(13)11-6-2-3-7(11)5-8(12)4-6/h6-8,12H,2-5H2,1H3,(H,10,13)
InChIKeyPRLREXRYCMBRPF-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.31
Rot. Bonds

About 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 78955075) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID78955075
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C9H16N2O2/c1-10-9(13)11-6-2-3-7(11)5-8(12)4-6/h6-8,12H,2-5H2,1H3,(H,10,13)
InChIKeyPRLREXRYCMBRPF-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 164785292
(2R)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-3-methylbutanoic acid
CID 79010368
N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 127308548
(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 141143444
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
CID 63768000
5-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-2-methylpentanoic acid
CID 104686686
(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-4-methylpentanoic acid
CID 63768250
3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032841
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methoxypropan-1-one
CID 115635293
N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63762447
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451659

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 78955075) is 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide is CNC(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is PRLREXRYCMBRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(13)11-6-2-3-7(11)5-8(12)4-6/h6-8,12H,2-5H2,1H3,(H,10,13).
What are the key properties of 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 78955075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).