(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

C10H17NO2 — CID 53487321

IUPAC(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CC2CCCCC2N1
InChIInChI=1S/C10H17NO2/c1-10(9(12)13)6-7-4-2-3-5-8(7)11-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t7?,8?,10-/m1/s1
InChIKeyWBAFZRWAQJBNFG-SFVIPPHHSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds1

About (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid (PubChem CID 53487321) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
PubChem CID53487321
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CC2CCCCC2N1
InChIInChI=1S/C10H17NO2/c1-10(9(12)13)6-7-4-2-3-5-8(7)11-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t7?,8?,10-/m1/s1
InChIKeyWBAFZRWAQJBNFG-SFVIPPHHSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-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 (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
The IUPAC name of (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid (CID 53487321) is (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid is C[C@]1(C(=O)O)CC2CCCCC2N1.
What is the InChIKey of (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
The InChIKey is WBAFZRWAQJBNFG-SFVIPPHHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(9(12)13)6-7-4-2-3-5-8(7)11-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t7?,8?,10-/m1/s1.
What are the key properties of (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid is sourced from PubChem (CID 53487321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).