2,3-dihydroxy-N-methylprop-2-enamide

C4H7NO3 — CID 175479893

IUPAC2,3-dihydroxy-N-methylprop-2-enamide
SMILESCNC(=O)C(O)=CO
InChIInChI=1S/C4H7NO3/c1-5-4(8)3(7)2-6/h2,6-7H,1H3,(H,5,8)
InChIKeyKIJWFXNBOAVGFF-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.31
Rot. Bonds1

About 2,3-dihydroxy-N-methylprop-2-enamide

2,3-dihydroxy-N-methylprop-2-enamide (PubChem CID 175479893) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methylprop-2-enamide
PubChem CID175479893
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2,3-dihydroxy-N-methylprop-2-enamide
SMILESCNC(=O)C(O)=CO
InChIInChI=1S/C4H7NO3/c1-5-4(8)3(7)2-6/h2,6-7H,1H3,(H,5,8)
InChIKeyKIJWFXNBOAVGFF-UHFFFAOYSA-N
XLogP-0.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3-dihydroxy-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methylprop-2-enamide?
The IUPAC name of 2,3-dihydroxy-N-methylprop-2-enamide (CID 175479893) is 2,3-dihydroxy-N-methylprop-2-enamide.
What is the SMILES notation for 2,3-dihydroxy-N-methylprop-2-enamide?
The canonical SMILES for 2,3-dihydroxy-N-methylprop-2-enamide is CNC(=O)C(O)=CO.
What is the InChIKey of 2,3-dihydroxy-N-methylprop-2-enamide?
The InChIKey is KIJWFXNBOAVGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-5-4(8)3(7)2-6/h2,6-7H,1H3,(H,5,8).
What are the key properties of 2,3-dihydroxy-N-methylprop-2-enamide?
2,3-dihydroxy-N-methylprop-2-enamide has a molecular weight of 117.10 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methylprop-2-enamide is sourced from PubChem (CID 175479893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).