3-amino-N-but-3-yn-2-yloxolane-3-carboxamide

C9H14N2O2 — CID 114417231

IUPAC3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
SMILESC#CC(C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C9H14N2O2/c1-3-7(2)11-8(12)9(10)4-5-13-6-9/h1,7H,4-6,10H2,2H3,(H,11,12)
InChIKeyAYMZNBLGBKNMIQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.76
Rot. Bonds2

About 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide

3-amino-N-but-3-yn-2-yloxolane-3-carboxamide (PubChem CID 114417231) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
PubChem CID114417231
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
SMILESC#CC(C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C9H14N2O2/c1-3-7(2)11-8(12)9(10)4-5-13-6-9/h1,7H,4-6,10H2,2H3,(H,11,12)
InChIKeyAYMZNBLGBKNMIQ-UHFFFAOYSA-N
XLogP-0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide (CID 114417231) is 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide is C#CC(C)NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide?
The InChIKey is AYMZNBLGBKNMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7(2)11-8(12)9(10)4-5-13-6-9/h1,7H,4-6,10H2,2H3,(H,11,12).
What are the key properties of 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide?
3-amino-N-but-3-yn-2-yloxolane-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-but-3-yn-2-yloxolane-3-carboxamide is sourced from PubChem (CID 114417231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).