2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid

C10H20N4O4 — CID 83020738

IUPAC2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid
SMILESCN1CCN(NC(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C10H20N4O4/c1-13-3-5-14(6-4-13)12-10(17)11-2-7-18-8-9(15)16/h2-8H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyLYQCAGAKSQXKBS-UHFFFAOYSA-N
MW260.29 g/mol
LogP-1.45
Rot. Bonds6

About 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid

2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid (PubChem CID 83020738) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid
PubChem CID83020738
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Name2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid
SMILESCN1CCN(NC(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C10H20N4O4/c1-13-3-5-14(6-4-13)12-10(17)11-2-7-18-8-9(15)16/h2-8H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyLYQCAGAKSQXKBS-UHFFFAOYSA-N
XLogP-1.45
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
CID 83020661
5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019684
2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464466
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-(2-morpholin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79463716
2-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019681
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
CID 106315939
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-[2-[(4,4-dimethylazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79463859
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid (CID 83020738) is 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid is CN1CCN(NC(=O)NCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is LYQCAGAKSQXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-13-3-5-14(6-4-13)12-10(17)11-2-7-18-8-9(15)16/h2-8H2,1H3,(H,15,16)(H2,11,12,17).
What are the key properties of 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 260.29 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 83020738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).