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

C8H13NO2 — CID 550836

IUPAC3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C8H13NO2/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H,10,11)
InChIKeyJSYLGUSANAWARQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds1

About 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid

3-aminobicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 550836) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID550836
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C8H13NO2/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H,10,11)
InChIKeyJSYLGUSANAWARQ-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 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid (CID 550836) is 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid is NC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is JSYLGUSANAWARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H,10,11).
What are the key properties of 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
3-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 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 550836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).