2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid

C11H21N3O4 — CID 63898368

IUPAC2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCN1CCN(C)C(CNC(=O)COCC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-13-3-4-14(2)9(6-13)5-12-10(15)7-18-8-11(16)17/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyJDVNSJDFNJTYJP-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.55
Rot. Bonds6

About 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 63898368) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID63898368
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCN1CCN(C)C(CNC(=O)COCC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-13-3-4-14(2)9(6-13)5-12-10(15)7-18-8-11(16)17/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyJDVNSJDFNJTYJP-UHFFFAOYSA-N
XLogP-1.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid (CID 63898368) is 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid is CN1CCN(C)C(CNC(=O)COCC(=O)O)C1.
What is the InChIKey of 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is JDVNSJDFNJTYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-13-3-4-14(2)9(6-13)5-12-10(15)7-18-8-11(16)17/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 259.31 g/mol, XLogP of -1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 63898368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).