(1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

C7H11NO4S — CID 170237433

IUPAC(1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)O)C1
InChIInChI=1S/C7H11NO4S/c1-13(11,12)8-3-5-2-7(5,4-8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-,7-/m0/s1
InChIKeyVLUUVSKEGCMYAH-FSPLSTOPSA-N
MW205.23 g/mol
LogP-0.65
Rot. Bonds2

About (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

(1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 170237433) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID170237433
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name(1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)O)C1
InChIInChI=1S/C7H11NO4S/c1-13(11,12)8-3-5-2-7(5,4-8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-,7-/m0/s1
InChIKeyVLUUVSKEGCMYAH-FSPLSTOPSA-N
XLogP-0.65
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-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

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 170237433) is (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)O)C1.
What is the InChIKey of (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is VLUUVSKEGCMYAH-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H11NO4S/c1-13(11,12)8-3-5-2-7(5,4-8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-,7-/m0/s1.
What are the key properties of (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
(1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-methylsulfonyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 170237433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).