2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid

C11H19N3O5 — CID 79464466

IUPAC2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCC(=O)N1CCN(C(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c1-9(15)13-3-5-14(6-4-13)11(18)12-2-7-19-8-10(16)17/h2-8H2,1H3,(H,12,18)(H,16,17)
InChIKeyAZDQVYZJJKBZQT-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.04
Rot. Bonds5

About 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid

2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79464466) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
PubChem CID79464466
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCC(=O)N1CCN(C(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c1-9(15)13-3-5-14(6-4-13)11(18)12-2-7-19-8-10(16)17/h2-8H2,1H3,(H,12,18)(H,16,17)
InChIKeyAZDQVYZJJKBZQT-UHFFFAOYSA-N
XLogP-1.04
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79464404
2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464461
2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79457260
2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463898
2-[2-[(4,4-dimethylazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79463859
2-[2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]ethoxy]acetic acid
CID 107224020
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
CID 106315939
2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid
CID 114411797
2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid
CID 83020738
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
2-[2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)ethoxy]acetic acid
CID 79463861

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid (CID 79464466) is 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid is CC(=O)N1CCN(C(=O)NCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is AZDQVYZJJKBZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-9(15)13-3-5-14(6-4-13)11(18)12-2-7-19-8-10(16)17/h2-8H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79464466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).