3-amino-2-tert-butyl-4-hydroxybut-2-enamide

C8H16N2O2 — CID 163549228

IUPAC3-amino-2-tert-butyl-4-hydroxybut-2-enamide
SMILESCC(C)(C)C(C(N)=O)=C(N)CO
InChIInChI=1S/C8H16N2O2/c1-8(2,3)6(7(10)12)5(9)4-11/h11H,4,9H2,1-3H3,(H2,10,12)
InChIKeyFKDKMMFXIHXLPL-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.28
Rot. Bonds2

About 3-amino-2-tert-butyl-4-hydroxybut-2-enamide

3-amino-2-tert-butyl-4-hydroxybut-2-enamide (PubChem CID 163549228) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-2-tert-butyl-4-hydroxybut-2-enamide.

Molecular Properties

Compound Name3-amino-2-tert-butyl-4-hydroxybut-2-enamide
PubChem CID163549228
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-2-tert-butyl-4-hydroxybut-2-enamide
SMILESCC(C)(C)C(C(N)=O)=C(N)CO
InChIInChI=1S/C8H16N2O2/c1-8(2,3)6(7(10)12)5(9)4-11/h11H,4,9H2,1-3H3,(H2,10,12)
InChIKeyFKDKMMFXIHXLPL-UHFFFAOYSA-N
XLogP-0.28
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-tert-butyl-4-hydroxybut-2-enamide?
The IUPAC name of 3-amino-2-tert-butyl-4-hydroxybut-2-enamide (CID 163549228) is 3-amino-2-tert-butyl-4-hydroxybut-2-enamide.
What is the SMILES notation for 3-amino-2-tert-butyl-4-hydroxybut-2-enamide?
The canonical SMILES for 3-amino-2-tert-butyl-4-hydroxybut-2-enamide is CC(C)(C)C(C(N)=O)=C(N)CO.
What is the InChIKey of 3-amino-2-tert-butyl-4-hydroxybut-2-enamide?
The InChIKey is FKDKMMFXIHXLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)6(7(10)12)5(9)4-11/h11H,4,9H2,1-3H3,(H2,10,12).
What are the key properties of 3-amino-2-tert-butyl-4-hydroxybut-2-enamide?
3-amino-2-tert-butyl-4-hydroxybut-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-tert-butyl-4-hydroxybut-2-enamide is sourced from PubChem (CID 163549228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).