(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid

C7H11NO2 — CID 138645603

IUPAC(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CC[C@@H](CN1)C2
InChIInChI=1S/C7H11NO2/c9-6(10)7-2-1-5(3-7)4-8-7/h5,8H,1-4H2,(H,9,10)/t5-,7?/m1/s1
InChIKeyHKUIKOCWQUWKQK-FOUAAFFMSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds1

About (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid

(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 138645603) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID138645603
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CC[C@@H](CN1)C2
InChIInChI=1S/C7H11NO2/c9-6(10)7-2-1-5(3-7)4-8-7/h5,8H,1-4H2,(H,9,10)/t5-,7?/m1/s1
InChIKeyHKUIKOCWQUWKQK-FOUAAFFMSA-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,4R)-5-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 102086861
1-(2-azabicyclo[2.1.1]hexan-1-yl)ethanone
CID 59074893
2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 25192132
2-azabicyclo[3.2.1]octane-1-carboxamide
CID 175977850
(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride
CID 73357666
2-azabicyclo[2.1.1]hexane-1-carbohydrazide
CID 164655163
N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 164655179
ethyl 2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride
CID 122164494
(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 102063959
(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
CID 155905217
1-methyl-2-azabicyclo[2.2.1]heptane;hydroiodide
CID 173152924
(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 129413549

Frequently Asked Questions

What is the IUPAC name of (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid (CID 138645603) is (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid is O=C(O)C12CC[C@@H](CN1)C2.
What is the InChIKey of (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is HKUIKOCWQUWKQK-FOUAAFFMSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6(10)7-2-1-5(3-7)4-8-7/h5,8H,1-4H2,(H,9,10)/t5-,7?/m1/s1.
What are the key properties of (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid?
(4R)-2-azabicyclo[2.2.1]heptane-1-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 (4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 138645603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).