6-aminobicyclo[2.2.1]heptane-2-carboxylic acid

C8H13NO2 — CID 20652779

IUPAC6-aminobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1CC2CC(C(=O)O)C1C2
InChIInChI=1S/C8H13NO2/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-7H,1-3,9H2,(H,10,11)
InChIKeyFDKRNUDLJGQKFB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds1

About 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid

6-aminobicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 20652779) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-aminobicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID20652779
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-aminobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1CC2CC(C(=O)O)C1C2
InChIInChI=1S/C8H13NO2/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-7H,1-3,9H2,(H,10,11)
InChIKeyFDKRNUDLJGQKFB-UHFFFAOYSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid (CID 20652779) is 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid is NC1CC2CC(C(=O)O)C1C2.
What is the InChIKey of 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is FDKRNUDLJGQKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-7H,1-3,9H2,(H,10,11).
What are the key properties of 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
6-aminobicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminobicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 20652779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).