7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid

C8H11NO4 — CID 25324131

IUPAC7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid
SMILESO=C(O)C12CCC(C(=O)O)(CC1)N2
InChIInChI=1S/C8H11NO4/c10-5(11)7-1-2-8(9-7,4-3-7)6(12)13/h9H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYATDJCAXVIVFQZ-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.19
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid

7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid (PubChem CID 25324131) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid
PubChem CID25324131
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid
SMILESO=C(O)C12CCC(C(=O)O)(CC1)N2
InChIInChI=1S/C8H11NO4/c10-5(11)7-1-2-8(9-7,4-3-7)6(12)13/h9H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYATDJCAXVIVFQZ-UHFFFAOYSA-N
XLogP-0.19
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-azabicyclo[2.2.1]heptane-1-carboxylic Acid
CID 10725441
7-Azabicyclo(2.2.1)heptane-1-carboxylic acid hydrochloride
CID 20850000
4-(Fluoromethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride
CID 177798974
4-Methyl-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 177798997
4-(Fluoromethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 177798975
CID 177799812
CID 177799812
7-Azabicyclo[2.2.1]heptane-1,4,7-tricarboxylic acid
CID 153955300
7-Azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid hydrochloride
CID 43810853
(2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid
CID 172571731
4-(Methoxymethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride
CID 177798980
4-(Methoxymethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 177798981
Methyl 4-(methoxymethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride
CID 177799914

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid?
The IUPAC name of 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid (CID 25324131) is 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid?
The canonical SMILES for 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid is O=C(O)C12CCC(C(=O)O)(CC1)N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid?
The InChIKey is YATDJCAXVIVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-5(11)7-1-2-8(9-7,4-3-7)6(12)13/h9H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid?
7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid is sourced from PubChem (CID 25324131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).