2-(2-aminoethoxy)acetic acid

C4H9NO3 — CID 11170956

IUPAC2-(2-aminoethoxy)acetic acid
SMILESNCCOCC(=O)O
InChIInChI=1S/C4H9NO3/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyGNRLUBOJIGSVNT-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.95
Rot. Bonds4

About 2-(2-aminoethoxy)acetic acid

2-(2-aminoethoxy)acetic acid (PubChem CID 11170956) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-(2-aminoethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)acetic acid
PubChem CID11170956
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-(2-aminoethoxy)acetic acid
SMILESNCCOCC(=O)O
InChIInChI=1S/C4H9NO3/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyGNRLUBOJIGSVNT-UHFFFAOYSA-N
XLogP-0.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)acetic acid?
The IUPAC name of 2-(2-aminoethoxy)acetic acid (CID 11170956) is 2-(2-aminoethoxy)acetic acid.
What is the SMILES notation for 2-(2-aminoethoxy)acetic acid?
The canonical SMILES for 2-(2-aminoethoxy)acetic acid is NCCOCC(=O)O.
What is the InChIKey of 2-(2-aminoethoxy)acetic acid?
The InChIKey is GNRLUBOJIGSVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7).
What are the key properties of 2-(2-aminoethoxy)acetic acid?
2-(2-aminoethoxy)acetic acid has a molecular weight of 119.12 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)acetic acid is sourced from PubChem (CID 11170956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).