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

C7H11NO2 — CID 10725441

IUPAC7-azabicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(CC1)N2
InChIInChI=1S/C7H11NO2/c9-6(10)7-3-1-5(8-7)2-4-7/h5,8H,1-4H2,(H,9,10)
InChIKeyDXJLLSBTGVSGQP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds1

About 7-azabicyclo[2.2.1]heptane-1-carboxylic acid

7-azabicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 10725441) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID10725441
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name7-azabicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(CC1)N2
InChIInChI=1S/C7H11NO2/c9-6(10)7-3-1-5(8-7)2-4-7/h5,8H,1-4H2,(H,9,10)
InChIKeyDXJLLSBTGVSGQP-UHFFFAOYSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azabicyclo(2.2.1)heptane-3-carboxylic acid
CID 13206023
(3S)-2-Azabicyclo[2.2.1]heptane-3-carboxlic acid
CID 11062480
(1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid hydrochloride
CID 20849996
7-Azabicyclo(2.2.1)heptane-1-carboxylic acid hydrochloride
CID 20850000
(3R)-2-Azabicyclo(2.2.1)heptane-3-carboxylic acid
CID 23599162
Methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate hydrochloride
CID 43810933
3,5-Methanoproline
CID 91197222
4-(Fluoromethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride
CID 177798974
4-Methyl-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 177798997
(3S)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 74892400
Methyl 3,3-difluoro-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 117706998
7-Azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid
CID 25324131

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid (CID 10725441) is 7-azabicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 7-azabicyclo[2.2.1]heptane-1-carboxylic acid is O=C(O)C12CCC(CC1)N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is DXJLLSBTGVSGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6(10)7-3-1-5(8-7)2-4-7/h5,8H,1-4H2,(H,9,10).
What are the key properties of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
7-azabicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 10725441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).