8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid

C9H15NO3 — CID 69144156

IUPAC8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CCC(C1)C2CO
InChIInChI=1S/C9H15NO3/c11-5-8-6-1-2-7(8)4-10(3-6)9(12)13/h6-8,11H,1-5H2,(H,12,13)
InChIKeyZYPWDGPFGBBSAV-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds1

About 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid

8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 69144156) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID69144156
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CCC(C1)C2CO
InChIInChI=1S/C9H15NO3/c11-5-8-6-1-2-7(8)4-10(3-6)9(12)13/h6-8,11H,1-5H2,(H,12,13)
InChIKeyZYPWDGPFGBBSAV-UHFFFAOYSA-N
XLogP0.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 118977842
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid
CID 57429701
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542
3-(2-hydroxyethyl)azetidine-1-carboxylic acid
CID 89421066
8-bicyclo[3.2.1]octanylmethanol
CID 115011380
3-[(Z)-hydroxyiminomethyl]azetidine-1-carboxylic acid
CID 170166081
3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid
CID 155390310
tert-butyl (1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 97294954
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 69144156) is 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)N1CC2CCC(C1)C2CO.
What is the InChIKey of 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is ZYPWDGPFGBBSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-5-8-6-1-2-7(8)4-10(3-6)9(12)13/h6-8,11H,1-5H2,(H,12,13).
What are the key properties of 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 69144156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).