2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid

C11H20N2O2 — CID 65470865

IUPAC2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
SMILESCN1C2CCCC1CC(NCC(=O)O)C2
InChIInChI=1S/C11H20N2O2/c1-13-9-3-2-4-10(13)6-8(5-9)12-7-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeySZAYAAJNGUSHRD-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds3

About 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid

2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid (PubChem CID 65470865) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
PubChem CID65470865
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
SMILESCN1C2CCCC1CC(NCC(=O)O)C2
InChIInChI=1S/C11H20N2O2/c1-13-9-3-2-4-10(13)6-8(5-9)12-7-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeySZAYAAJNGUSHRD-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65473146
N-methyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-N-propan-2-ylacetamide
CID 65470299
N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471067
2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid
CID 113436549
N-(2-methoxyethyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471257
9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 115328351
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
CID 104644641
2-(cyclopropylamino)acetic acid
CID 21197388
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276

Frequently Asked Questions

What is the IUPAC name of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid?
The IUPAC name of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid (CID 65470865) is 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid is CN1C2CCCC1CC(NCC(=O)O)C2.
What is the InChIKey of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid?
The InChIKey is SZAYAAJNGUSHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-9-3-2-4-10(13)6-8(5-9)12-7-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid?
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid is sourced from PubChem (CID 65470865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).