4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide

C11H18N2O2 — CID 66263338

IUPAC4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H18N2O2/c1-5-10(2,3)13-9(14)11(4)7-15-6-8(11)12/h1,8H,6-7,12H2,2-4H3,(H,13,14)
InChIKeyXFULUYQUOUNXAC-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.12
Rot. Bonds2

About 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide

4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide (PubChem CID 66263338) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide
PubChem CID66263338
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H18N2O2/c1-5-10(2,3)13-9(14)11(4)7-15-6-8(11)12/h1,8H,6-7,12H2,2-4H3,(H,13,14)
InChIKeyXFULUYQUOUNXAC-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.12
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 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide (CID 66263338) is 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide is C#CC(C)(C)NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide?
The InChIKey is XFULUYQUOUNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-10(2,3)13-9(14)11(4)7-15-6-8(11)12/h1,8H,6-7,12H2,2-4H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66263338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).