2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid

C13H22N2O2 — CID 65057775

IUPAC2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
SMILESCN1C2CCC1CC(N(CC(=O)O)C1CC1)C2
InChIInChI=1S/C13H22N2O2/c1-14-10-4-5-11(14)7-12(6-10)15(8-13(16)17)9-2-3-9/h9-12H,2-8H2,1H3,(H,16,17)
InChIKeyHYZXNDGQXWORPJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds4

About 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid

2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid (PubChem CID 65057775) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
PubChem CID65057775
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
SMILESCN1C2CCC1CC(N(CC(=O)O)C1CC1)C2
InChIInChI=1S/C13H22N2O2/c1-14-10-4-5-11(14)7-12(6-10)15(8-13(16)17)9-2-3-9/h9-12H,2-8H2,1H3,(H,16,17)
InChIKeyHYZXNDGQXWORPJ-UHFFFAOYSA-N
XLogP1.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic 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 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid (CID 65057775) is 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid is CN1C2CCC1CC(N(CC(=O)O)C1CC1)C2.
What is the InChIKey of 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
The InChIKey is HYZXNDGQXWORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-10-4-5-11(14)7-12(6-10)15(8-13(16)17)9-2-3-9/h9-12H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid has a molecular weight of 238.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid is sourced from PubChem (CID 65057775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).