5,5,5-trihydroxy-2-methylpent-2-enamide

C6H11NO4 — CID 173294065

IUPAC5,5,5-trihydroxy-2-methylpent-2-enamide
SMILESCC(=CCC(O)(O)O)C(N)=O
InChIInChI=1S/C6H11NO4/c1-4(5(7)8)2-3-6(9,10)11/h2,9-11H,3H2,1H3,(H2,7,8)
InChIKeyHSLBLUPJSMKEAI-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.56
Rot. Bonds3

About 5,5,5-trihydroxy-2-methylpent-2-enamide

5,5,5-trihydroxy-2-methylpent-2-enamide (PubChem CID 173294065) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5,5,5-trihydroxy-2-methylpent-2-enamide.

Molecular Properties

Compound Name5,5,5-trihydroxy-2-methylpent-2-enamide
PubChem CID173294065
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name5,5,5-trihydroxy-2-methylpent-2-enamide
SMILESCC(=CCC(O)(O)O)C(N)=O
InChIInChI=1S/C6H11NO4/c1-4(5(7)8)2-3-6(9,10)11/h2,9-11H,3H2,1H3,(H2,7,8)
InChIKeyHSLBLUPJSMKEAI-UHFFFAOYSA-N
XLogP-1.56
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5,5,5-trihydroxy-2-methylpent-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

2-methylpent-2-enamide
CID 66895957
2-methylhex-2-enamide;hydrochloride
CID 141109029
(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
CID 10397471
6-amino-6-ethyl-2-methyloct-2-enamide
CID 140635741
6-amino-2-methylhex-2-enamide
CID 54113800
2-methylhept-2-enamide;hydrate
CID 172812574
2-methylhex-2-enamide;propan-1-amine
CID 174435970
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563
(E)-5-ethyl-2-methylhept-2-enamide
CID 140867486
2,5-dimethylhept-2-enamide
CID 140547183
2-methylnonacos-2-enamide
CID 141002865
(E)-2-methylhexadec-2-enamide
CID 87240184

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trihydroxy-2-methylpent-2-enamide?
The IUPAC name of 5,5,5-trihydroxy-2-methylpent-2-enamide (CID 173294065) is 5,5,5-trihydroxy-2-methylpent-2-enamide.
What is the SMILES notation for 5,5,5-trihydroxy-2-methylpent-2-enamide?
The canonical SMILES for 5,5,5-trihydroxy-2-methylpent-2-enamide is CC(=CCC(O)(O)O)C(N)=O.
What is the InChIKey of 5,5,5-trihydroxy-2-methylpent-2-enamide?
The InChIKey is HSLBLUPJSMKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(5(7)8)2-3-6(9,10)11/h2,9-11H,3H2,1H3,(H2,7,8).
What are the key properties of 5,5,5-trihydroxy-2-methylpent-2-enamide?
5,5,5-trihydroxy-2-methylpent-2-enamide has a molecular weight of 161.16 g/mol, XLogP of -1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trihydroxy-2-methylpent-2-enamide is sourced from PubChem (CID 173294065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).