2,3-dihydroxy-N-methoxy-N-methylpropanamide

C5H11NO4 — CID 130142572

IUPAC2,3-dihydroxy-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(O)CO
InChIInChI=1S/C5H11NO4/c1-6(10-2)5(9)4(8)3-7/h4,7-8H,3H2,1-2H3
InChIKeyFCVKYCDVFOMPPB-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.64
Rot. Bonds3

About 2,3-dihydroxy-N-methoxy-N-methylpropanamide

2,3-dihydroxy-N-methoxy-N-methylpropanamide (PubChem CID 130142572) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methoxy-N-methylpropanamide
PubChem CID130142572
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name2,3-dihydroxy-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(O)CO
InChIInChI=1S/C5H11NO4/c1-6(10-2)5(9)4(8)3-7/h4,7-8H,3H2,1-2H3
InChIKeyFCVKYCDVFOMPPB-UHFFFAOYSA-N
XLogP-1.64
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
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 2,3-dihydroxy-N-methoxy-N-methylpropanamide?
The IUPAC name of 2,3-dihydroxy-N-methoxy-N-methylpropanamide (CID 130142572) is 2,3-dihydroxy-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2,3-dihydroxy-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2,3-dihydroxy-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-N-methoxy-N-methylpropanamide?
The InChIKey is FCVKYCDVFOMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-6(10-2)5(9)4(8)3-7/h4,7-8H,3H2,1-2H3.
What are the key properties of 2,3-dihydroxy-N-methoxy-N-methylpropanamide?
2,3-dihydroxy-N-methoxy-N-methylpropanamide has a molecular weight of 149.15 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 130142572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).