2-(2-oxoethylamino)acetaldehyde;hydrochloride

C4H8ClNO2 — CID 71336398

IUPAC2-(2-oxoethylamino)acetaldehyde;hydrochloride
SMILESCl.O=CCNCC=O
InChIInChI=1S/C4H7NO2.ClH/c6-3-1-5-2-4-7;/h3-5H,1-2H2;1H
InChIKeyNOYGUEKGHGBOTA-UHFFFAOYSA-N
MW137.57 g/mol
LogP-0.60
Rot. Bonds4

About 2-(2-oxoethylamino)acetaldehyde;hydrochloride

2-(2-oxoethylamino)acetaldehyde;hydrochloride (PubChem CID 71336398) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is 2-(2-oxoethylamino)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(2-oxoethylamino)acetaldehyde;hydrochloride
PubChem CID71336398
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name2-(2-oxoethylamino)acetaldehyde;hydrochloride
SMILESCl.O=CCNCC=O
InChIInChI=1S/C4H7NO2.ClH/c6-3-1-5-2-4-7;/h3-5H,1-2H2;1H
InChIKeyNOYGUEKGHGBOTA-UHFFFAOYSA-N
XLogP-0.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoethylamino)acetaldehyde;hydrochloride?
The IUPAC name of 2-(2-oxoethylamino)acetaldehyde;hydrochloride (CID 71336398) is 2-(2-oxoethylamino)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(2-oxoethylamino)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(2-oxoethylamino)acetaldehyde;hydrochloride is Cl.O=CCNCC=O.
What is the InChIKey of 2-(2-oxoethylamino)acetaldehyde;hydrochloride?
The InChIKey is NOYGUEKGHGBOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.ClH/c6-3-1-5-2-4-7;/h3-5H,1-2H2;1H.
What are the key properties of 2-(2-oxoethylamino)acetaldehyde;hydrochloride?
2-(2-oxoethylamino)acetaldehyde;hydrochloride has a molecular weight of 137.57 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethylamino)acetaldehyde;hydrochloride is sourced from PubChem (CID 71336398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).