2-hydroxy-2-methoxypropanamide

C4H9NO3 — CID 57235393

IUPAC2-hydroxy-2-methoxypropanamide
SMILESCOC(C)(O)C(N)=O
InChIInChI=1S/C4H9NO3/c1-4(7,8-2)3(5)6/h7H,1-2H3,(H2,5,6)
InChIKeyHBTPNKWFONKURY-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.17
Rot. Bonds2

About 2-hydroxy-2-methoxypropanamide

2-hydroxy-2-methoxypropanamide (PubChem CID 57235393) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-hydroxy-2-methoxypropanamide.

Molecular Properties

Compound Name2-hydroxy-2-methoxypropanamide
PubChem CID57235393
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-hydroxy-2-methoxypropanamide
SMILESCOC(C)(O)C(N)=O
InChIInChI=1S/C4H9NO3/c1-4(7,8-2)3(5)6/h7H,1-2H3,(H2,5,6)
InChIKeyHBTPNKWFONKURY-UHFFFAOYSA-N
XLogP-1.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-2-methoxypropanamide?
The IUPAC name of 2-hydroxy-2-methoxypropanamide (CID 57235393) is 2-hydroxy-2-methoxypropanamide.
What is the SMILES notation for 2-hydroxy-2-methoxypropanamide?
The canonical SMILES for 2-hydroxy-2-methoxypropanamide is COC(C)(O)C(N)=O.
What is the InChIKey of 2-hydroxy-2-methoxypropanamide?
The InChIKey is HBTPNKWFONKURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-4(7,8-2)3(5)6/h7H,1-2H3,(H2,5,6).
What are the key properties of 2-hydroxy-2-methoxypropanamide?
2-hydroxy-2-methoxypropanamide has a molecular weight of 119.12 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methoxypropanamide is sourced from PubChem (CID 57235393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).