2-(propoxyamino)acetamide

C5H12N2O2 — CID 131093395

IUPAC2-(propoxyamino)acetamide
SMILESCCCONCC(N)=O
InChIInChI=1S/C5H12N2O2/c1-2-3-9-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyLJANLRUZRDANPU-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.60
Rot. Bonds5

About 2-(propoxyamino)acetamide

2-(propoxyamino)acetamide (PubChem CID 131093395) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(propoxyamino)acetamide.

Molecular Properties

Compound Name2-(propoxyamino)acetamide
PubChem CID131093395
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-(propoxyamino)acetamide
SMILESCCCONCC(N)=O
InChIInChI=1S/C5H12N2O2/c1-2-3-9-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyLJANLRUZRDANPU-UHFFFAOYSA-N
XLogP-0.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propoxyamino)acetamide?
The IUPAC name of 2-(propoxyamino)acetamide (CID 131093395) is 2-(propoxyamino)acetamide.
What is the SMILES notation for 2-(propoxyamino)acetamide?
The canonical SMILES for 2-(propoxyamino)acetamide is CCCONCC(N)=O.
What is the InChIKey of 2-(propoxyamino)acetamide?
The InChIKey is LJANLRUZRDANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-2-3-9-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8).
What are the key properties of 2-(propoxyamino)acetamide?
2-(propoxyamino)acetamide has a molecular weight of 132.16 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxyamino)acetamide is sourced from PubChem (CID 131093395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).