5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one

C14H27NO2 — CID 126716229

IUPAC5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one
SMILESCC(C)(CCN)CC1CC(C(C)(C)C)C(=O)O1
InChIInChI=1S/C14H27NO2/c1-13(2,3)11-8-10(17-12(11)16)9-14(4,5)6-7-15/h10-11H,6-9,15H2,1-5H3
InChIKeyHZZWSEYMFDWYTL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.73
Rot. Bonds4

About 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one

5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one (PubChem CID 126716229) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one.

Molecular Properties

Compound Name5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one
PubChem CID126716229
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one
SMILESCC(C)(CCN)CC1CC(C(C)(C)C)C(=O)O1
InChIInChI=1S/C14H27NO2/c1-13(2,3)11-8-10(17-12(11)16)9-14(4,5)6-7-15/h10-11H,6-9,15H2,1-5H3
InChIKeyHZZWSEYMFDWYTL-UHFFFAOYSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one?
The IUPAC name of 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one (CID 126716229) is 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one.
What is the SMILES notation for 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one?
The canonical SMILES for 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one is CC(C)(CCN)CC1CC(C(C)(C)C)C(=O)O1.
What is the InChIKey of 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one?
The InChIKey is HZZWSEYMFDWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)11-8-10(17-12(11)16)9-14(4,5)6-7-15/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one?
5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one has a molecular weight of 241.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,2-dimethylbutyl)-3-tert-butyloxolan-2-one is sourced from PubChem (CID 126716229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).