3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid

C11H17NO4 — CID 23439370

IUPAC3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid
SMILESCC1CC2CC1(C(=O)O)C(C)C2(N)C(=O)O
InChIInChI=1S/C11H17NO4/c1-5-3-7-4-10(5,8(13)14)6(2)11(7,12)9(15)16/h5-7H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySNZXZNJMOFRFJC-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.54
Rot. Bonds2

About 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid

3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid (PubChem CID 23439370) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid
PubChem CID23439370
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid
SMILESCC1CC2CC1(C(=O)O)C(C)C2(N)C(=O)O
InChIInChI=1S/C11H17NO4/c1-5-3-7-4-10(5,8(13)14)6(2)11(7,12)9(15)16/h5-7H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySNZXZNJMOFRFJC-UHFFFAOYSA-N
XLogP0.54
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid?
The IUPAC name of 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid (CID 23439370) is 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid.
What is the SMILES notation for 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid?
The canonical SMILES for 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid is CC1CC2CC1(C(=O)O)C(C)C2(N)C(=O)O.
What is the InChIKey of 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid?
The InChIKey is SNZXZNJMOFRFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5-3-7-4-10(5,8(13)14)6(2)11(7,12)9(15)16/h5-7H,3-4,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid?
3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid is sourced from PubChem (CID 23439370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).