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

C7H11NO2 — CID 21202810

IUPAC1-azabicyclo[2.2.1]heptane-4-carboxylic acid
SMILESO=C(O)C12CCN(CC1)C2
InChIInChI=1S/C7H11NO2/c9-6(10)7-1-3-8(5-7)4-2-7/h1-5H2,(H,9,10)
InChIKeyCWVQBVRGOKBTQJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.17
Rot. Bonds1

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

1-azabicyclo[2.2.1]heptane-4-carboxylic acid (PubChem CID 21202810) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane-4-carboxylic acid.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane-4-carboxylic acid
PubChem CID21202810
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-azabicyclo[2.2.1]heptane-4-carboxylic acid
SMILESO=C(O)C12CCN(CC1)C2
InChIInChI=1S/C7H11NO2/c9-6(10)7-1-3-8(5-7)4-2-7/h1-5H2,(H,9,10)
InChIKeyCWVQBVRGOKBTQJ-UHFFFAOYSA-N
XLogP0.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-azabicyclo[2.1.1]hexane-4-carboxylic acid
CID 153412459
1-(1-azabicyclo[2.2.1]heptan-4-yl)ethanone
CID 10678310
N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 10583285
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 15663616
1-(1-azabicyclo[2.2.2]octan-4-yl)ethanone perchlorate
CID 132587337
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 20568205
2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid
CID 125454700
3-fluoro-1-azabicyclo[2.2.2]octane-4-carboxylic acid
CID 105435400
4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid
CID 84660141
(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
CID 10726128
1-azabicyclo[2.2.1]heptan-4-ylmethylurea
CID 170615784

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane-4-carboxylic acid?
The IUPAC name of 1-azabicyclo[2.2.1]heptane-4-carboxylic acid (CID 21202810) is 1-azabicyclo[2.2.1]heptane-4-carboxylic acid.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane-4-carboxylic acid?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane-4-carboxylic acid is O=C(O)C12CCN(CC1)C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane-4-carboxylic acid?
The InChIKey is CWVQBVRGOKBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6(10)7-1-3-8(5-7)4-2-7/h1-5H2,(H,9,10).
What are the key properties of 1-azabicyclo[2.2.1]heptane-4-carboxylic acid?
1-azabicyclo[2.2.1]heptane-4-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane-4-carboxylic acid is sourced from PubChem (CID 21202810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).