2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid

C10H20N2O4 — CID 56716645

IUPAC2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
SMILESCOC(CN1CCN(CC(=O)O)CC1)OC
InChIInChI=1S/C10H20N2O4/c1-15-10(16-2)8-12-5-3-11(4-6-12)7-9(13)14/h10H,3-8H2,1-2H3,(H,13,14)
InChIKeyCWFJZBLAKUFCDF-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds6

About 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid (PubChem CID 56716645) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
PubChem CID56716645
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
SMILESCOC(CN1CCN(CC(=O)O)CC1)OC
InChIInChI=1S/C10H20N2O4/c1-15-10(16-2)8-12-5-3-11(4-6-12)7-9(13)14/h10H,3-8H2,1-2H3,(H,13,14)
InChIKeyCWFJZBLAKUFCDF-UHFFFAOYSA-N
XLogP-0.69
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[7-(carboxymethyl)-4,10-bis(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 15798973
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
2-[4,7-bis(carboxymethyl)-10-(2-sulfanylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134517440
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
calcium;tris(2-[4,7-bis(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid);gadolinium(2+);gadolinium(3+)
CID 163448358
1-[4-(2,2-dimethoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 66221900
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol
CID 66222329
2-[4,8-bis(carboxymethyl)-11-(2-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 91490050
2-[4-(carboxymethyl)-7-(formyloxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 161292810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid (CID 56716645) is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid is COC(CN1CCN(CC(=O)O)CC1)OC.
What is the InChIKey of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid?
The InChIKey is CWFJZBLAKUFCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-15-10(16-2)8-12-5-3-11(4-6-12)7-9(13)14/h10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid?
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 56716645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).