4-aminobicyclo[2.2.1]heptane-1-carboxylic acid

C8H13NO2 — CID 45084820

IUPAC4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
SMILESNC12CCC(C(=O)O)(CC1)C2
InChIInChI=1S/C8H13NO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5,9H2,(H,10,11)
InChIKeyMDYXIODNSNZLHX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.73
Rot. Bonds1

About 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid

4-aminobicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 45084820) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID45084820
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
SMILESNC12CCC(C(=O)O)(CC1)C2
InChIInChI=1S/C8H13NO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5,9H2,(H,10,11)
InChIKeyMDYXIODNSNZLHX-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid (CID 45084820) is 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid is NC12CCC(C(=O)O)(CC1)C2.
What is the InChIKey of 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is MDYXIODNSNZLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5,9H2,(H,10,11).
What are the key properties of 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid?
4-aminobicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 45084820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).