2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid

C8H14N2O2 — CID 175801649

IUPAC2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCC1NCC2CCC1N2C(=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)
InChIKeyQZKPXMFAUZRIFT-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.49
Rot. Bonds

About 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid

2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 175801649) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID175801649
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCC1NCC2CCC1N2C(=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)
InChIKeyQZKPXMFAUZRIFT-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid (CID 175801649) is 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid is CC1NCC2CCC1N2C(=O)O.
What is the InChIKey of 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is QZKPXMFAUZRIFT-UHFFFAOYSA-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).
What are the key properties of 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid?
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 2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 175801649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).