2-[(2-oxoethylamino)methylamino]acetaldehyde

C5H10N2O2 — CID 54207302

IUPAC2-[(2-oxoethylamino)methylamino]acetaldehyde
SMILESO=CCNCNCC=O
InChIInChI=1S/C5H10N2O2/c8-3-1-6-5-7-2-4-9/h3-4,6-7H,1-2,5H2
InChIKeyIIHWIJSCYGUTPD-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.48
Rot. Bonds6

About 2-[(2-oxoethylamino)methylamino]acetaldehyde

2-[(2-oxoethylamino)methylamino]acetaldehyde (PubChem CID 54207302) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-[(2-oxoethylamino)methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(2-oxoethylamino)methylamino]acetaldehyde
PubChem CID54207302
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-[(2-oxoethylamino)methylamino]acetaldehyde
SMILESO=CCNCNCC=O
InChIInChI=1S/C5H10N2O2/c8-3-1-6-5-7-2-4-9/h3-4,6-7H,1-2,5H2
InChIKeyIIHWIJSCYGUTPD-UHFFFAOYSA-N
XLogP-1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.48
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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Related Compounds

ethane;2-[2-(methylamino)ethylamino]acetaldehyde
CID 144858841
sodium;2-(ethylamino)acetaldehyde;hydride
CID 173371347
2-(methylamino)acetaldehyde;2-methylpropane;propane
CID 142611186
2-[[(E)-but-2-enyl]amino]acetaldehyde
CID 173274411
2-(2-methoxyethylamino)acetaldehyde
CID 54243184
2-(decylamino)acetaldehyde
CID 87184304
phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)
CID 173019567
2-(methylamino)acetaldehyde;2-methylpropanoic acid
CID 23463592
2-oxoethylcyanamide
CID 19809504
2-(benzylamino)acetaldehyde
CID 2769654
1-oxo-2-(sulfinatoamino)ethane
CID 89216073
2-(prop-1-enylamino)acetaldehyde
CID 173097369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxoethylamino)methylamino]acetaldehyde?
The IUPAC name of 2-[(2-oxoethylamino)methylamino]acetaldehyde (CID 54207302) is 2-[(2-oxoethylamino)methylamino]acetaldehyde.
What is the SMILES notation for 2-[(2-oxoethylamino)methylamino]acetaldehyde?
The canonical SMILES for 2-[(2-oxoethylamino)methylamino]acetaldehyde is O=CCNCNCC=O.
What is the InChIKey of 2-[(2-oxoethylamino)methylamino]acetaldehyde?
The InChIKey is IIHWIJSCYGUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c8-3-1-6-5-7-2-4-9/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-[(2-oxoethylamino)methylamino]acetaldehyde?
2-[(2-oxoethylamino)methylamino]acetaldehyde has a molecular weight of 130.15 g/mol, XLogP of -1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxoethylamino)methylamino]acetaldehyde is sourced from PubChem (CID 54207302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).