2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid

C13H26N2O5 — CID 104564764

IUPAC2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
SMILESCOCCOCCOCCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H26N2O5/c1-18-8-9-20-11-10-19-7-6-14-2-4-15(5-3-14)12-13(16)17/h2-12H2,1H3,(H,16,17)
InChIKeyFKXLAKSNEQXEIG-UHFFFAOYSA-N
MW290.36 g/mol
LogP-0.63
Rot. Bonds11

About 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid

2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid (PubChem CID 104564764) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
PubChem CID104564764
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
SMILESCOCCOCCOCCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H26N2O5/c1-18-8-9-20-11-10-19-7-6-14-2-4-15(5-3-14)12-13(16)17/h2-12H2,1H3,(H,16,17)
InChIKeyFKXLAKSNEQXEIG-UHFFFAOYSA-N
XLogP-0.63
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]acetic acid
CID 103410865
2-[4,7-bis(carboxymethyl)-10-[2-(2-hydroxyethoxy)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19438545
2-[4,7-bis(2-hydroperoxyethyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 22943955
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[4-ethyl-7,10-bis(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 54082006
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
2-[4,7-bis(carboxymethyl)-10-[2-hydroxy-3-[2-[[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 135134723
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]acetic acid
CID 112590598
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid (CID 104564764) is 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid is COCCOCCOCCN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid?
The InChIKey is FKXLAKSNEQXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-18-8-9-20-11-10-19-7-6-14-2-4-15(5-3-14)12-13(16)17/h2-12H2,1H3,(H,16,17).
What are the key properties of 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid?
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of -0.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 104564764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).