N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide

C10H19NO3 — CID 79023824

IUPACN-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
SMILESCC(C)C(CO)NC(=O)C1CCCO1
InChIInChI=1S/C10H19NO3/c1-7(2)8(6-12)11-10(13)9-4-3-5-14-9/h7-9,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyGFYNQOTVVCRPGG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide (PubChem CID 79023824) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
PubChem CID79023824
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
SMILESCC(C)C(CO)NC(=O)C1CCCO1
InChIInChI=1S/C10H19NO3/c1-7(2)8(6-12)11-10(13)9-4-3-5-14-9/h7-9,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyGFYNQOTVVCRPGG-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide (CID 79023824) is N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide is CC(C)C(CO)NC(=O)C1CCCO1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide?
The InChIKey is GFYNQOTVVCRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)8(6-12)11-10(13)9-4-3-5-14-9/h7-9,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 79023824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).