(1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid

C8H14N2O2 — CID 174214042

IUPAC(1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
SMILESC[C@H]1NC[C@@H]2CC[C@H]1N2C(=O)O
InChIInChI=1S/C8H14N2O2/c1-5-7-3-2-6(4-9-5)10(7)8(11)12/h5-7,9H,2-4H2,1H3,(H,11,12)/t5-,6+,7-/m1/s1
InChIKeyQZKPXMFAUZRIFT-DSYKOEDSSA-N
MW170.21 g/mol
LogP0.49
Rot. Bonds

About (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid

(1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 174214042) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID174214042
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
SMILESC[C@H]1NC[C@@H]2CC[C@H]1N2C(=O)O
InChIInChI=1S/C8H14N2O2/c1-5-7-3-2-6(4-9-5)10(7)8(11)12/h5-7,9H,2-4H2,1H3,(H,11,12)/t5-,6+,7-/m1/s1
InChIKeyQZKPXMFAUZRIFT-DSYKOEDSSA-N
XLogP0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-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 (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid (CID 174214042) is (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid is C[C@H]1NC[C@@H]2CC[C@H]1N2C(=O)O.
What is the InChIKey of (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is QZKPXMFAUZRIFT-DSYKOEDSSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-7-3-2-6(4-9-5)10(7)8(11)12/h5-7,9H,2-4H2,1H3,(H,11,12)/t5-,6+,7-/m1/s1.
What are the key properties of (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
(1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 174214042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).