2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid

C12H20N2O3 — CID 79607520

IUPAC2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H20N2O3/c1-14(7-12(16)17)11(15)6-8-4-9-2-3-10(5-8)13-9/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyLZJPPPKTJMQWDX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds4

About 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid (PubChem CID 79607520) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
PubChem CID79607520
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H20N2O3/c1-14(7-12(16)17)11(15)6-8-4-9-2-3-10(5-8)13-9/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyLZJPPPKTJMQWDX-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 79610320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
CID 119759233
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
CID 79615612
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid
CID 79607022
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79615177
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 79610319
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide;hydrochloride
CID 119726228
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide
CID 105417599
2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid
CID 64609754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylacetamide
CID 79611059

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid (CID 79607520) is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid?
The InChIKey is LZJPPPKTJMQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14(7-12(16)17)11(15)6-8-4-9-2-3-10(5-8)13-9/h8-10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid?
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 79607520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).