2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid

C13H24N2O2 — CID 65056706

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H24N2O2/c1-9(2)15(8-13(16)17)12-6-10-4-5-11(7-12)14(10)3/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyCBWQFLFWNIDUCY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds4

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

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid (PubChem CID 65056706) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid
PubChem CID65056706
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H24N2O2/c1-9(2)15(8-13(16)17)12-6-10-4-5-11(7-12)14(10)3/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyCBWQFLFWNIDUCY-UHFFFAOYSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid (CID 65056706) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid?
The InChIKey is CBWQFLFWNIDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15(8-13(16)17)12-6-10-4-5-11(7-12)14(10)3/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid has a molecular weight of 240.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 65056706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).