2-aminooxy-N-(methylcarbamoyl)propanamide

C5H11N3O3 — CID 106938638

IUPAC2-aminooxy-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)ON
InChIInChI=1S/C5H11N3O3/c1-3(11-6)4(9)8-5(10)7-2/h3H,6H2,1-2H3,(H2,7,8,9,10)
InChIKeySQPSQRKGSSBWTK-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.28
Rot. Bonds2

About 2-aminooxy-N-(methylcarbamoyl)propanamide

2-aminooxy-N-(methylcarbamoyl)propanamide (PubChem CID 106938638) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-aminooxy-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-aminooxy-N-(methylcarbamoyl)propanamide
PubChem CID106938638
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2-aminooxy-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)ON
InChIInChI=1S/C5H11N3O3/c1-3(11-6)4(9)8-5(10)7-2/h3H,6H2,1-2H3,(H2,7,8,9,10)
InChIKeySQPSQRKGSSBWTK-UHFFFAOYSA-N
XLogP-1.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-aminooxy-N-(methylcarbamoyl)propanamide (CID 106938638) is 2-aminooxy-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-aminooxy-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-aminooxy-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)ON.
What is the InChIKey of 2-aminooxy-N-(methylcarbamoyl)propanamide?
The InChIKey is SQPSQRKGSSBWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-3(11-6)4(9)8-5(10)7-2/h3H,6H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 2-aminooxy-N-(methylcarbamoyl)propanamide?
2-aminooxy-N-(methylcarbamoyl)propanamide has a molecular weight of 161.16 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 106938638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).