N-but-3-yn-2-yl-2-hydroxypropanamide

C7H11NO2 — CID 126994434

IUPACN-but-3-yn-2-yl-2-hydroxypropanamide
SMILESC#CC(C)NC(=O)C(C)O
InChIInChI=1S/C7H11NO2/c1-4-5(2)8-7(10)6(3)9/h1,5-6,9H,2-3H3,(H,8,10)
InChIKeyLNQLRQHTJYTXJO-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.49
Rot. Bonds2

About N-but-3-yn-2-yl-2-hydroxypropanamide

N-but-3-yn-2-yl-2-hydroxypropanamide (PubChem CID 126994434) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-hydroxypropanamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-hydroxypropanamide
PubChem CID126994434
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-but-3-yn-2-yl-2-hydroxypropanamide
SMILESC#CC(C)NC(=O)C(C)O
InChIInChI=1S/C7H11NO2/c1-4-5(2)8-7(10)6(3)9/h1,5-6,9H,2-3H3,(H,8,10)
InChIKeyLNQLRQHTJYTXJO-UHFFFAOYSA-N
XLogP-0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.49
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

2-amino-N-but-3-yn-2-ylpropanamide
CID 114417070
N-but-3-yn-2-yl-2,2-difluoroacetamide
CID 103514717
N-but-3-yn-2-yl-2-(methylamino)propanamide
CID 114417110
2-bromo-N-but-3-yn-2-yl-3-methylbutanamide
CID 114415729
(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
CID 104921675
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
N-but-3-yn-2-yl-4-hydroxypentanamide
CID 114420373
1-but-3-yn-2-yl-3-(3-methylbutan-2-yl)urea
CID 130891248
N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442
(2R)-2-hydroxy-N-(3-methylbutan-2-yl)propanamide
CID 131207003
N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556
(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
CID 104921668

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-hydroxypropanamide?
The IUPAC name of N-but-3-yn-2-yl-2-hydroxypropanamide (CID 126994434) is N-but-3-yn-2-yl-2-hydroxypropanamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-hydroxypropanamide?
The canonical SMILES for N-but-3-yn-2-yl-2-hydroxypropanamide is C#CC(C)NC(=O)C(C)O.
What is the InChIKey of N-but-3-yn-2-yl-2-hydroxypropanamide?
The InChIKey is LNQLRQHTJYTXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5(2)8-7(10)6(3)9/h1,5-6,9H,2-3H3,(H,8,10).
What are the key properties of N-but-3-yn-2-yl-2-hydroxypropanamide?
N-but-3-yn-2-yl-2-hydroxypropanamide has a molecular weight of 141.17 g/mol, XLogP of -0.49, 2 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-2-hydroxypropanamide is sourced from PubChem (CID 126994434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).