3-(2-hydroxy-3-methoxypropoxy)propanamide

C7H15NO4 — CID 172515689

IUPAC3-(2-hydroxy-3-methoxypropoxy)propanamide
SMILESCOCC(O)COCCC(N)=O
InChIInChI=1S/C7H15NO4/c1-11-4-6(9)5-12-3-2-7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyWUKSTYMTRSENBC-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.11
Rot. Bonds7

About 3-(2-hydroxy-3-methoxypropoxy)propanamide

3-(2-hydroxy-3-methoxypropoxy)propanamide (PubChem CID 172515689) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxypropoxy)propanamide.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxypropoxy)propanamide
PubChem CID172515689
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name3-(2-hydroxy-3-methoxypropoxy)propanamide
SMILESCOCC(O)COCCC(N)=O
InChIInChI=1S/C7H15NO4/c1-11-4-6(9)5-12-3-2-7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyWUKSTYMTRSENBC-UHFFFAOYSA-N
XLogP-1.11
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxypropoxy)propanamide?
The IUPAC name of 3-(2-hydroxy-3-methoxypropoxy)propanamide (CID 172515689) is 3-(2-hydroxy-3-methoxypropoxy)propanamide.
What is the SMILES notation for 3-(2-hydroxy-3-methoxypropoxy)propanamide?
The canonical SMILES for 3-(2-hydroxy-3-methoxypropoxy)propanamide is COCC(O)COCCC(N)=O.
What is the InChIKey of 3-(2-hydroxy-3-methoxypropoxy)propanamide?
The InChIKey is WUKSTYMTRSENBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-11-4-6(9)5-12-3-2-7(8)10/h6,9H,2-5H2,1H3,(H2,8,10).
What are the key properties of 3-(2-hydroxy-3-methoxypropoxy)propanamide?
3-(2-hydroxy-3-methoxypropoxy)propanamide has a molecular weight of 177.20 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxypropoxy)propanamide is sourced from PubChem (CID 172515689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).