(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol

C7H13NO2 — CID 130891891

IUPAC(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESOC[C@]1(O)CN2CC[C@H]1C2
InChIInChI=1S/C7H13NO2/c9-5-7(10)4-8-2-1-6(7)3-8/h6,9-10H,1-5H2/t6-,7+/m0/s1
InChIKeyRKHXFWDWIPYGCY-NKWVEPMBSA-N
MW143.19 g/mol
LogP-0.95
Rot. Bonds1

About (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol

(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol (PubChem CID 130891891) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol.

Molecular Properties

Compound Name(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol
PubChem CID130891891
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESOC[C@]1(O)CN2CC[C@H]1C2
InChIInChI=1S/C7H13NO2/c9-5-7(10)4-8-2-1-6(7)3-8/h6,9-10H,1-5H2/t6-,7+/m0/s1
InChIKeyRKHXFWDWIPYGCY-NKWVEPMBSA-N
XLogP-0.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol?
The IUPAC name of (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol (CID 130891891) is (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol.
What is the SMILES notation for (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol?
The canonical SMILES for (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol is OC[C@]1(O)CN2CC[C@H]1C2.
What is the InChIKey of (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol?
The InChIKey is RKHXFWDWIPYGCY-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13NO2/c9-5-7(10)4-8-2-1-6(7)3-8/h6,9-10H,1-5H2/t6-,7+/m0/s1.
What are the key properties of (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol?
(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol has a molecular weight of 143.19 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol is sourced from PubChem (CID 130891891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).