4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide

C6H11NO3 — CID 22023492

IUPAC4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide
SMILESCC(C(N)=O)=C(CO)CO
InChIInChI=1S/C6H11NO3/c1-4(6(7)10)5(2-8)3-9/h8-9H,2-3H2,1H3,(H2,7,10)
InChIKeyWXVTYVAWKFXHBD-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.23
Rot. Bonds3

About 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide

4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide (PubChem CID 22023492) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide
PubChem CID22023492
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide
SMILESCC(C(N)=O)=C(CO)CO
InChIInChI=1S/C6H11NO3/c1-4(6(7)10)5(2-8)3-9/h8-9H,2-3H2,1H3,(H2,7,10)
InChIKeyWXVTYVAWKFXHBD-UHFFFAOYSA-N
XLogP-1.23
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-(hydroxymethyl)-2-methylbut-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

Related Compounds

3,3-dihydroxy-2-methylprop-2-enamide
CID 23369191
(E)-3-hydroxy-2-methylbut-2-enamide
CID 87140433
prop-1-ene-1,1,2-tricarboxamide
CID 155668965
(Z)-3-[(dimethylamino)methyl]-2-methylhex-2-enamide
CID 140739984
3-amino-5,6-dihydroxy-2-methylhex-2-enamide
CID 175280437
acetamide
CID 139024037
3-amino-2-tert-butyl-4-hydroxybut-2-enamide
CID 163549228
3,3-dihydrazinyl-2-methylprop-2-enamide
CID 163555683
3-(dimethylamino)-2-methylbut-2-enamide
CID 140503837
(E)-3-methoxy-2-methylbut-2-enamide
CID 55284643
1-hydroxypropan-2-one;hexahydrate
CID 173077690
1-hydroxypropan-2-one;octahydrate
CID 173282716

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide?
The IUPAC name of 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide (CID 22023492) is 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide.
What is the SMILES notation for 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide?
The canonical SMILES for 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide is CC(C(N)=O)=C(CO)CO.
What is the InChIKey of 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide?
The InChIKey is WXVTYVAWKFXHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(7)10)5(2-8)3-9/h8-9H,2-3H2,1H3,(H2,7,10).
What are the key properties of 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide?
4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide has a molecular weight of 145.16 g/mol, XLogP of -1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide is sourced from PubChem (CID 22023492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).