4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

C7H11NO3 — CID 73425099

IUPAC4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
SMILESO=C(O)C12CC(CO)(CN1)C2
InChIInChI=1S/C7H11NO3/c9-4-6-1-7(2-6,5(10)11)8-3-6/h8-9H,1-4H2,(H,10,11)
InChIKeyLHBAUHDTJMHXLC-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.81
Rot. Bonds2

About 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid (PubChem CID 73425099) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
PubChem CID73425099
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
SMILESO=C(O)C12CC(CO)(CN1)C2
InChIInChI=1S/C7H11NO3/c9-4-6-1-7(2-6,5(10)11)8-3-6/h8-9H,1-4H2,(H,10,11)
InChIKeyLHBAUHDTJMHXLC-UHFFFAOYSA-N
XLogP-0.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid 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 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid (CID 73425099) is 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid is O=C(O)C12CC(CO)(CN1)C2.
What is the InChIKey of 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The InChIKey is LHBAUHDTJMHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-4-6-1-7(2-6,5(10)11)8-3-6/h8-9H,1-4H2,(H,10,11).
What are the key properties of 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid is sourced from PubChem (CID 73425099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).