(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid

C7H11NO2 — CID 74892078

IUPAC(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H]2CC[C@@H]1NC2
InChIInChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(6)8-3-4/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6+/m0/s1
InChIKeySULXPXJOORYEFJ-HCWXCVPCSA-N
MW141.17 g/mol
LogP0.07
Rot. Bonds1

About (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid

(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid (PubChem CID 74892078) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid.

Molecular Properties

Compound Name(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
PubChem CID74892078
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H]2CC[C@@H]1NC2
InChIInChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(6)8-3-4/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6+/m0/s1
InChIKeySULXPXJOORYEFJ-HCWXCVPCSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 129430636
ethyl (1R,4S,7S)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 11423819
(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol
CID 55253029
2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid
CID 126506712
[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1,4-diazepan-1-yl)methanone
CID 155497477
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
6-cyclohexylpiperidine-3-carboxylic acid
CID 83916848
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 130765151
(1R,4S,7S)-7-bromo-2-azabicyclo[2.2.1]heptane
CID 98071510
[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 154818121
(1S,3S,4R,6S)-6-hydroxy-2-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 146565023

Frequently Asked Questions

What is the IUPAC name of (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The IUPAC name of (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid (CID 74892078) is (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid.
What is the SMILES notation for (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The canonical SMILES for (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid is O=C(O)[C@@H]1[C@H]2CC[C@@H]1NC2.
What is the InChIKey of (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The InChIKey is SULXPXJOORYEFJ-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(6)8-3-4/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6+/m0/s1.
What are the key properties of (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid is sourced from PubChem (CID 74892078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).