1-aminoethoxymethanol

C3H9NO2 — CID 76727864

IUPAC1-aminoethoxymethanol
SMILESCC(N)OCO
InChIInChI=1S/C3H9NO2/c1-3(4)6-2-5/h3,5H,2,4H2,1H3
InChIKeyUVDFGERAIQSATO-UHFFFAOYSA-N
MW91.11 g/mol
LogP-0.74
Rot. Bonds2

About 1-aminoethoxymethanol

1-aminoethoxymethanol (PubChem CID 76727864) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is 1-aminoethoxymethanol.

Molecular Properties

Compound Name1-aminoethoxymethanol
PubChem CID76727864
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Name1-aminoethoxymethanol
SMILESCC(N)OCO
InChIInChI=1S/C3H9NO2/c1-3(4)6-2-5/h3,5H,2,4H2,1H3
InChIKeyUVDFGERAIQSATO-UHFFFAOYSA-N
XLogP-0.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethoxymethanol?
The IUPAC name of 1-aminoethoxymethanol (CID 76727864) is 1-aminoethoxymethanol.
What is the SMILES notation for 1-aminoethoxymethanol?
The canonical SMILES for 1-aminoethoxymethanol is CC(N)OCO.
What is the InChIKey of 1-aminoethoxymethanol?
The InChIKey is UVDFGERAIQSATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c1-3(4)6-2-5/h3,5H,2,4H2,1H3.
What are the key properties of 1-aminoethoxymethanol?
1-aminoethoxymethanol has a molecular weight of 91.11 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethoxymethanol is sourced from PubChem (CID 76727864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).