4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide

C8H15NO4 — CID 87624802

IUPAC4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide
SMILESCC(C(=O)N(C)CO)=C(CO)CO
InChIInChI=1S/C8H15NO4/c1-6(7(3-10)4-11)8(13)9(2)5-12/h10-12H,3-5H2,1-2H3
InChIKeyAOYZLNJIZLXOKI-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.30
Rot. Bonds4

About 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide

4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide (PubChem CID 87624802) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide.

Molecular Properties

Compound Name4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide
PubChem CID87624802
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide
SMILESCC(C(=O)N(C)CO)=C(CO)CO
InChIInChI=1S/C8H15NO4/c1-6(7(3-10)4-11)8(13)9(2)5-12/h10-12H,3-5H2,1-2H3
InChIKeyAOYZLNJIZLXOKI-UHFFFAOYSA-N
XLogP-1.30
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide?
The IUPAC name of 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide (CID 87624802) is 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide.
What is the SMILES notation for 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide?
The canonical SMILES for 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide is CC(C(=O)N(C)CO)=C(CO)CO.
What is the InChIKey of 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide?
The InChIKey is AOYZLNJIZLXOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(7(3-10)4-11)8(13)9(2)5-12/h10-12H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide?
4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide has a molecular weight of 189.21 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,3-bis(hydroxymethyl)-N,2-dimethylbut-2-enamide is sourced from PubChem (CID 87624802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).