2-ethyl-4-hydroxybutanamide

C6H13NO2 — CID 22244879

IUPAC2-ethyl-4-hydroxybutanamide
SMILESCCC(CCO)C(N)=O
InChIInChI=1S/C6H13NO2/c1-2-5(3-4-8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)
InChIKeyWISAIFKQWMPYDJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.12
Rot. Bonds4

About 2-ethyl-4-hydroxybutanamide

2-ethyl-4-hydroxybutanamide (PubChem CID 22244879) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-ethyl-4-hydroxybutanamide.

Molecular Properties

Compound Name2-ethyl-4-hydroxybutanamide
PubChem CID22244879
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-ethyl-4-hydroxybutanamide
SMILESCCC(CCO)C(N)=O
InChIInChI=1S/C6H13NO2/c1-2-5(3-4-8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)
InChIKeyWISAIFKQWMPYDJ-UHFFFAOYSA-N
XLogP-0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxybutanamide?
The IUPAC name of 2-ethyl-4-hydroxybutanamide (CID 22244879) is 2-ethyl-4-hydroxybutanamide.
What is the SMILES notation for 2-ethyl-4-hydroxybutanamide?
The canonical SMILES for 2-ethyl-4-hydroxybutanamide is CCC(CCO)C(N)=O.
What is the InChIKey of 2-ethyl-4-hydroxybutanamide?
The InChIKey is WISAIFKQWMPYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-5(3-4-8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9).
What are the key properties of 2-ethyl-4-hydroxybutanamide?
2-ethyl-4-hydroxybutanamide has a molecular weight of 131.18 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxybutanamide is sourced from PubChem (CID 22244879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).