7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

C9H11NO4 — CID 100953032

IUPAC7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESNC1C2C=CC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C9H11NO4/c10-7-3-1-2-4(7)6(9(13)14)5(3)8(11)12/h1-7H,10H2,(H,11,12)(H,13,14)
InChIKeyZUDFDHCUDWQLDY-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.47
Rot. Bonds2

About 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (PubChem CID 100953032) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
PubChem CID100953032
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESNC1C2C=CC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C9H11NO4/c10-7-3-1-2-4(7)6(9(13)14)5(3)8(11)12/h1-7H,10H2,(H,11,12)(H,13,14)
InChIKeyZUDFDHCUDWQLDY-UHFFFAOYSA-N
XLogP-0.47
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-aminobicyclo[2.2.1]hept-5-ene-2,3-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 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The IUPAC name of 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (CID 100953032) is 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
What is the SMILES notation for 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The canonical SMILES for 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is NC1C2C=CC1C(C(=O)O)C2C(=O)O.
What is the InChIKey of 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The InChIKey is ZUDFDHCUDWQLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-7-3-1-2-4(7)6(9(13)14)5(3)8(11)12/h1-7H,10H2,(H,11,12)(H,13,14).
What are the key properties of 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is sourced from PubChem (CID 100953032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).