(3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

C7H11NO2 — CID 23599162

IUPAC(3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
SMILESO=C(O)[C@@H]1NC2CCC1C2
InChIInChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(3-4)8-6/h4-6,8H,1-3H2,(H,9,10)/t4?,5?,6-/m1/s1
InChIKeyBMVVXSIHLQYXJJ-JMMWHDCWSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds1

About (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

(3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid (PubChem CID 23599162) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
PubChem CID23599162
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
SMILESO=C(O)[C@@H]1NC2CCC1C2
InChIInChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(3-4)8-6/h4-6,8H,1-3H2,(H,9,10)/t4?,5?,6-/m1/s1
InChIKeyBMVVXSIHLQYXJJ-JMMWHDCWSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 11366996
(1R,2S,5S)-3-Azabicyclo[3.1.0]Hexane-2-Carboxylic Acid
CID 11073435
2-Azabicyclo(2.2.1)heptane-3-carboxylic acid
CID 13206023
(1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 11983697
(1S,3S,5S)-2-Azabicyclo(3.1.0)hexane-3-carboxylic acid
CID 16228670
(3S)-2-Azabicyclo[2.2.1]heptane-3-carboxlic acid
CID 11062480
7-azabicyclo[2.2.1]heptane-1-carboxylic Acid
CID 10725441
cis-3-Azabicyclo(3.1.0)hexane-2-carboxylic acid
CID 12851883
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 12851885
Methyl 2-azabicyclo(2.2.1)heptane-3-carboxylate hydrochloride
CID 20487957
(1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid hydrochloride
CID 20849996
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride
CID 20849999

Frequently Asked Questions

What is the IUPAC name of (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The IUPAC name of (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid (CID 23599162) is (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid.
What is the SMILES notation for (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The canonical SMILES for (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid is O=C(O)[C@@H]1NC2CCC1C2.
What is the InChIKey of (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The InChIKey is BMVVXSIHLQYXJJ-JMMWHDCWSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(3-4)8-6/h4-6,8H,1-3H2,(H,9,10)/t4?,5?,6-/m1/s1.
What are the key properties of (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
(3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid is sourced from PubChem (CID 23599162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).