2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid

C10H21NO6 — CID 175484836

IUPAC2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(OCCN)OC(C)OC(C)OCC(=O)O
InChIInChI=1S/C10H21NO6/c1-7(14-5-4-11)16-9(3)17-8(2)15-6-10(12)13/h7-9H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyKHOJCBYVAHEERZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.13
Rot. Bonds10

About 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid

2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 175484836) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID175484836
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(OCCN)OC(C)OC(C)OCC(=O)O
InChIInChI=1S/C10H21NO6/c1-7(14-5-4-11)16-9(3)17-8(2)15-6-10(12)13/h7-9H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyKHOJCBYVAHEERZ-UHFFFAOYSA-N
XLogP0.13
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-aminoethoxy)ethoxy]propanoic acid
CID 140704240
3-(2-aminoethoxy)butanoic acid
CID 146218165
2-(1-methoxyethoxy)acetic acid;zinc
CID 174204539
2-(1-undecoxyethoxy)acetic acid
CID 122610996
2-(1-formyloxyethoxy)acetic acid
CID 88859959
2-[2-(1-aminoethoxy)ethoxy]acetic acid
CID 19037384
2-(2-aminoethoxy)propylcarbamic acid
CID 175060404
2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid
CID 87899081
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid (CID 175484836) is 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid is CC(OCCN)OC(C)OC(C)OCC(=O)O.
What is the InChIKey of 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is KHOJCBYVAHEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO6/c1-7(14-5-4-11)16-9(3)17-8(2)15-6-10(12)13/h7-9H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid?
2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 0.13, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 175484836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).