9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

C11H19NO3 — CID 115028344

IUPAC9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
SMILESCN1CC2CC(C(=O)O)CC(C1)C2CO
InChIInChI=1S/C11H19NO3/c1-12-4-8-2-7(11(14)15)3-9(5-12)10(8)6-13/h7-10,13H,2-6H2,1H3,(H,14,15)
InChIKeyUGRBGPSQYVDUPU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.27
Rot. Bonds2

About 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid (PubChem CID 115028344) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid.

Molecular Properties

Compound Name9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
PubChem CID115028344
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
SMILESCN1CC2CC(C(=O)O)CC(C1)C2CO
InChIInChI=1S/C11H19NO3/c1-12-4-8-2-7(11(14)15)3-9(5-12)10(8)6-13/h7-10,13H,2-6H2,1H3,(H,14,15)
InChIKeyUGRBGPSQYVDUPU-UHFFFAOYSA-N
XLogP0.27
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
CID 170235636
N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
CID 129276970
5-ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115016482
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69144156
tert-butyl (1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 97294954
8-(2-carboxyethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115035570
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
9-[4-(hydroxymethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]bicyclo[3.3.1]nonane-3-carboxylic acid
CID 141185501
3-methylcyclobutane-1-carboxylic acid
CID 3044406

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The IUPAC name of 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid (CID 115028344) is 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid.
What is the SMILES notation for 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The canonical SMILES for 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid is CN1CC2CC(C(=O)O)CC(C1)C2CO.
What is the InChIKey of 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The InChIKey is UGRBGPSQYVDUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12-4-8-2-7(11(14)15)3-9(5-12)10(8)6-13/h7-10,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid is sourced from PubChem (CID 115028344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).