2-(2-amino-2-hydroxyethoxy)acetaldehyde

C4H9NO3 — CID 88552808

IUPAC2-(2-amino-2-hydroxyethoxy)acetaldehyde
SMILESNC(O)COCC=O
InChIInChI=1S/C4H9NO3/c5-4(7)3-8-2-1-6/h1,4,7H,2-3,5H2
InChIKeyPWZXPFWOYUOLLX-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.52
Rot. Bonds4

About 2-(2-amino-2-hydroxyethoxy)acetaldehyde

2-(2-amino-2-hydroxyethoxy)acetaldehyde (PubChem CID 88552808) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-(2-amino-2-hydroxyethoxy)acetaldehyde.

Molecular Properties

Compound Name2-(2-amino-2-hydroxyethoxy)acetaldehyde
PubChem CID88552808
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-(2-amino-2-hydroxyethoxy)acetaldehyde
SMILESNC(O)COCC=O
InChIInChI=1S/C4H9NO3/c5-4(7)3-8-2-1-6/h1,4,7H,2-3,5H2
InChIKeyPWZXPFWOYUOLLX-UHFFFAOYSA-N
XLogP-1.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-hydroxyethoxy)acetaldehyde?
The IUPAC name of 2-(2-amino-2-hydroxyethoxy)acetaldehyde (CID 88552808) is 2-(2-amino-2-hydroxyethoxy)acetaldehyde.
What is the SMILES notation for 2-(2-amino-2-hydroxyethoxy)acetaldehyde?
The canonical SMILES for 2-(2-amino-2-hydroxyethoxy)acetaldehyde is NC(O)COCC=O.
What is the InChIKey of 2-(2-amino-2-hydroxyethoxy)acetaldehyde?
The InChIKey is PWZXPFWOYUOLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c5-4(7)3-8-2-1-6/h1,4,7H,2-3,5H2.
What are the key properties of 2-(2-amino-2-hydroxyethoxy)acetaldehyde?
2-(2-amino-2-hydroxyethoxy)acetaldehyde has a molecular weight of 119.12 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-hydroxyethoxy)acetaldehyde is sourced from PubChem (CID 88552808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).