3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid

C8H12N2O4 — CID 90887230

IUPAC3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid
SMILESNC1C(C(=O)O)C2CCC1N2C(=O)O
InChIInChI=1S/C8H12N2O4/c9-6-4-2-1-3(5(6)7(11)12)10(4)8(13)14/h3-6H,1-2,9H2,(H,11,12)(H,13,14)
InChIKeyLTCVBUTULTZZEI-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.46
Rot. Bonds1

About 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid

3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid (PubChem CID 90887230) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid.

Molecular Properties

Compound Name3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid
PubChem CID90887230
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid
SMILESNC1C(C(=O)O)C2CCC1N2C(=O)O
InChIInChI=1S/C8H12N2O4/c9-6-4-2-1-3(5(6)7(11)12)10(4)8(13)14/h3-6H,1-2,9H2,(H,11,12)(H,13,14)
InChIKeyLTCVBUTULTZZEI-UHFFFAOYSA-N
XLogP-0.46
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic 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 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid?
The IUPAC name of 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid (CID 90887230) is 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid.
What is the SMILES notation for 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid?
The canonical SMILES for 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid is NC1C(C(=O)O)C2CCC1N2C(=O)O.
What is the InChIKey of 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid?
The InChIKey is LTCVBUTULTZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c9-6-4-2-1-3(5(6)7(11)12)10(4)8(13)14/h3-6H,1-2,9H2,(H,11,12)(H,13,14).
What are the key properties of 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid?
3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid is sourced from PubChem (CID 90887230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).