1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid

C17H20N2O2 — CID 68762000

IUPAC1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
SMILESCN1C2CC[C@@H]1CC(n1cc(C(=O)O)c3ccccc31)C2
InChIInChI=1S/C17H20N2O2/c1-18-11-6-7-12(18)9-13(8-11)19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-5,10-13H,6-9H2,1H3,(H,20,21)/t11-,12?,13?/m1/s1
InChIKeySXJKNVFETGCMNP-PNESKVBLSA-N
MW284.36 g/mol
LogP3.14
Rot. Bonds2

About 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid

1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid (PubChem CID 68762000) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
PubChem CID68762000
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
SMILESCN1C2CC[C@@H]1CC(n1cc(C(=O)O)c3ccccc31)C2
InChIInChI=1S/C17H20N2O2/c1-18-11-6-7-12(18)9-13(8-11)19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-5,10-13H,6-9H2,1H3,(H,20,21)/t11-,12?,13?/m1/s1
InChIKeySXJKNVFETGCMNP-PNESKVBLSA-N
XLogP3.14
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid?
The IUPAC name of 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid (CID 68762000) is 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid?
The canonical SMILES for 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid is CN1C2CC[C@@H]1CC(n1cc(C(=O)O)c3ccccc31)C2.
What is the InChIKey of 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid?
The InChIKey is SXJKNVFETGCMNP-PNESKVBLSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-11-6-7-12(18)9-13(8-11)19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-5,10-13H,6-9H2,1H3,(H,20,21)/t11-,12?,13?/m1/s1.
What are the key properties of 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid?
1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid is sourced from PubChem (CID 68762000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).