2-aminoacetaldehyde;methoxyethane

C5H13NO2 — CID 142602170

IUPAC2-aminoacetaldehyde;methoxyethane
SMILESCCOC.NCC=O
InChIInChI=1S/C3H8O.C2H5NO/c1-3-4-2;3-1-2-4/h3H2,1-2H3;2H,1,3H2
InChIKeyBMSHZQLDTXUCAQ-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.20
Rot. Bonds2

About 2-aminoacetaldehyde;methoxyethane

2-aminoacetaldehyde;methoxyethane (PubChem CID 142602170) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-aminoacetaldehyde;methoxyethane.

Molecular Properties

Compound Name2-aminoacetaldehyde;methoxyethane
PubChem CID142602170
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-aminoacetaldehyde;methoxyethane
SMILESCCOC.NCC=O
InChIInChI=1S/C3H8O.C2H5NO/c1-3-4-2;3-1-2-4/h3H2,1-2H3;2H,1,3H2
InChIKeyBMSHZQLDTXUCAQ-UHFFFAOYSA-N
XLogP-0.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;methoxyethane?
The IUPAC name of 2-aminoacetaldehyde;methoxyethane (CID 142602170) is 2-aminoacetaldehyde;methoxyethane.
What is the SMILES notation for 2-aminoacetaldehyde;methoxyethane?
The canonical SMILES for 2-aminoacetaldehyde;methoxyethane is CCOC.NCC=O.
What is the InChIKey of 2-aminoacetaldehyde;methoxyethane?
The InChIKey is BMSHZQLDTXUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H5NO/c1-3-4-2;3-1-2-4/h3H2,1-2H3;2H,1,3H2.
What are the key properties of 2-aminoacetaldehyde;methoxyethane?
2-aminoacetaldehyde;methoxyethane has a molecular weight of 119.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;methoxyethane is sourced from PubChem (CID 142602170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).