N,2-dihydroxy-N-methylpropanamide

C4H9NO3 — CID 20609817

IUPACN,2-dihydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)O
InChIInChI=1S/C4H9NO3/c1-3(6)4(7)5(2)8/h3,6,8H,1-2H3
InChIKeyIVMZYPSXBVMPNF-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.79
Rot. Bonds1

About N,2-dihydroxy-N-methylpropanamide

N,2-dihydroxy-N-methylpropanamide (PubChem CID 20609817) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is N,2-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN,2-dihydroxy-N-methylpropanamide
PubChem CID20609817
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC NameN,2-dihydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)O
InChIInChI=1S/C4H9NO3/c1-3(6)4(7)5(2)8/h3,6,8H,1-2H3
InChIKeyIVMZYPSXBVMPNF-UHFFFAOYSA-N
XLogP-0.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N,2-dihydroxy-N-methylpropanamide?
The IUPAC name of N,2-dihydroxy-N-methylpropanamide (CID 20609817) is N,2-dihydroxy-N-methylpropanamide.
What is the SMILES notation for N,2-dihydroxy-N-methylpropanamide?
The canonical SMILES for N,2-dihydroxy-N-methylpropanamide is CC(O)C(=O)N(C)O.
What is the InChIKey of N,2-dihydroxy-N-methylpropanamide?
The InChIKey is IVMZYPSXBVMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-3(6)4(7)5(2)8/h3,6,8H,1-2H3.
What are the key properties of N,2-dihydroxy-N-methylpropanamide?
N,2-dihydroxy-N-methylpropanamide has a molecular weight of 119.12 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 20609817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).