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

C6H13NO4 — CID 19037384

IUPAC2-[2-(1-aminoethoxy)ethoxy]acetic acid
SMILESCC(N)OCCOCC(=O)O
InChIInChI=1S/C6H13NO4/c1-5(7)11-3-2-10-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyQHLAKRNULVMBPT-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.59
Rot. Bonds6

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

2-[2-(1-aminoethoxy)ethoxy]acetic acid (PubChem CID 19037384) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-[2-(1-aminoethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1-aminoethoxy)ethoxy]acetic acid
PubChem CID19037384
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-[2-(1-aminoethoxy)ethoxy]acetic acid
SMILESCC(N)OCCOCC(=O)O
InChIInChI=1S/C6H13NO4/c1-5(7)11-3-2-10-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyQHLAKRNULVMBPT-UHFFFAOYSA-N
XLogP-0.59
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid
CID 138695823
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid
CID 57218988
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
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-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
CID 142879742
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethoxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1-aminoethoxy)ethoxy]acetic acid (CID 19037384) is 2-[2-(1-aminoethoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1-aminoethoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1-aminoethoxy)ethoxy]acetic acid is CC(N)OCCOCC(=O)O.
What is the InChIKey of 2-[2-(1-aminoethoxy)ethoxy]acetic acid?
The InChIKey is QHLAKRNULVMBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-5(7)11-3-2-10-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 2-[2-(1-aminoethoxy)ethoxy]acetic acid?
2-[2-(1-aminoethoxy)ethoxy]acetic acid has a molecular weight of 163.17 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethoxy)ethoxy]acetic acid is sourced from PubChem (CID 19037384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).