2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid

C11H21N3O4 — CID 79271874

IUPAC2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN1CCNCC1
InChIInChI=1S/C11H21N3O4/c1-18-7-6-14(9-11(16)17)10(15)8-13-4-2-12-3-5-13/h12H,2-9H2,1H3,(H,16,17)
InChIKeyYRANEYDJOXIBQD-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.55
Rot. Bonds7

About 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid

2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid (PubChem CID 79271874) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid
PubChem CID79271874
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN1CCNCC1
InChIInChI=1S/C11H21N3O4/c1-18-7-6-14(9-11(16)17)10(15)8-13-4-2-12-3-5-13/h12H,2-9H2,1H3,(H,16,17)
InChIKeyYRANEYDJOXIBQD-UHFFFAOYSA-N
XLogP-1.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-2-piperazin-1-ylacetamide
CID 54944353
2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 79327977
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
2-[2-methoxyethyl-(2-piperidin-4-yloxyacetyl)amino]acetic acid
CID 79271103
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 62837792
2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid
CID 121498187
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61447579
2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62838345
2-[2-methoxyethyl-(2-pyrrolidin-2-ylacetyl)amino]acetic acid
CID 79271684
ethane;2-piperazin-1-ylacetic acid
CID 143723779

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid (CID 79271874) is 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CN1CCNCC1.
What is the InChIKey of 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid?
The InChIKey is YRANEYDJOXIBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-18-7-6-14(9-11(16)17)10(15)8-13-4-2-12-3-5-13/h12H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid?
2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of -1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid is sourced from PubChem (CID 79271874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).