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

C14H17NO2 — CID 56972812

IUPAC(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
SMILESO=C(O)C1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2
InChIInChI=1S/C14H17NO2/c16-14(17)13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,16,17)/t11-,12-,13?/m1/s1
InChIKeyOIAGHEMWVXRIGQ-ZNRZSNADSA-N
MW231.29 g/mol
LogP1.98
Rot. Bonds3

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

(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid (PubChem CID 56972812) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid.

Molecular Properties

Compound Name(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
PubChem CID56972812
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
SMILESO=C(O)C1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2
InChIInChI=1S/C14H17NO2/c16-14(17)13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,16,17)/t11-,12-,13?/m1/s1
InChIKeyOIAGHEMWVXRIGQ-ZNRZSNADSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4S)-2-benzyl-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

(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 98071497
2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl) 2-hydroxy-2,2-diphenylacetate
CID 68942830
(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl) 2,2-diphenylpropanoate
CID 24894546
(1S,5S)-3-benzyl-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 98105075
N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine
CID 22238389
1-benzyl-2,3,3a,4,5,6,7,7a-octahydroindole-6-carboxylic acid
CID 82380236
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
(1R,4R,5R)-2-benzyl-5-iodo-2-azabicyclo[2.1.1]hexane
CID 44519577
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The IUPAC name of (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid (CID 56972812) is (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid.
What is the SMILES notation for (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The canonical SMILES for (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid is O=C(O)C1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2.
What is the InChIKey of (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The InChIKey is OIAGHEMWVXRIGQ-ZNRZSNADSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,16,17)/t11-,12-,13?/m1/s1.
What are the key properties of (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid?
(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid is sourced from PubChem (CID 56972812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).