2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid

C12H24N2O3 — CID 54968954

IUPAC2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid
SMILESCOCCN(CCN1CCCCC1)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-17-10-9-14(11-12(15)16)8-7-13-5-3-2-4-6-13/h2-11H2,1H3,(H,15,16)
InChIKeyGGRVVJGGPANMRU-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.51
Rot. Bonds8

About 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid

2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid (PubChem CID 54968954) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid
PubChem CID54968954
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid
SMILESCOCCN(CCN1CCCCC1)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-17-10-9-14(11-12(15)16)8-7-13-5-3-2-4-6-13/h2-11H2,1H3,(H,15,16)
InChIKeyGGRVVJGGPANMRU-UHFFFAOYSA-N
XLogP0.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid (CID 54968954) is 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid is COCCN(CCN1CCCCC1)CC(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid?
The InChIKey is GGRVVJGGPANMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-17-10-9-14(11-12(15)16)8-7-13-5-3-2-4-6-13/h2-11H2,1H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid?
2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid is sourced from PubChem (CID 54968954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).