N-but-3-yn-2-yl-4-hydroxybutanamide

C8H13NO2 — CID 114420372

IUPACN-but-3-yn-2-yl-4-hydroxybutanamide
SMILESC#CC(C)NC(=O)CCCO
InChIInChI=1S/C8H13NO2/c1-3-7(2)9-8(11)5-4-6-10/h1,7,10H,4-6H2,2H3,(H,9,11)
InChIKeyBXTPWLWGGOGUMH-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds4

About N-but-3-yn-2-yl-4-hydroxybutanamide

N-but-3-yn-2-yl-4-hydroxybutanamide (PubChem CID 114420372) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-but-3-yn-2-yl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-4-hydroxybutanamide
PubChem CID114420372
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-but-3-yn-2-yl-4-hydroxybutanamide
SMILESC#CC(C)NC(=O)CCCO
InChIInChI=1S/C8H13NO2/c1-3-7(2)9-8(11)5-4-6-10/h1,7,10H,4-6H2,2H3,(H,9,11)
InChIKeyBXTPWLWGGOGUMH-UHFFFAOYSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556
N-but-3-yn-2-ylhexanamide
CID 114389654
N-but-3-yn-2-yl-4-(methylamino)butanamide
CID 114417259
N-but-3-yn-2-yl-4-hydroxypentanamide
CID 114420373
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
N-but-3-yn-2-yl-2-cyanoacetamide
CID 114417353
4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
CID 170404242
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
CID 114389809

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-4-hydroxybutanamide?
The IUPAC name of N-but-3-yn-2-yl-4-hydroxybutanamide (CID 114420372) is N-but-3-yn-2-yl-4-hydroxybutanamide.
What is the SMILES notation for N-but-3-yn-2-yl-4-hydroxybutanamide?
The canonical SMILES for N-but-3-yn-2-yl-4-hydroxybutanamide is C#CC(C)NC(=O)CCCO.
What is the InChIKey of N-but-3-yn-2-yl-4-hydroxybutanamide?
The InChIKey is BXTPWLWGGOGUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-7(2)9-8(11)5-4-6-10/h1,7,10H,4-6H2,2H3,(H,9,11).
What are the key properties of N-but-3-yn-2-yl-4-hydroxybutanamide?
N-but-3-yn-2-yl-4-hydroxybutanamide has a molecular weight of 155.20 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-4-hydroxybutanamide is sourced from PubChem (CID 114420372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).