3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide

C11H20N2O3 — CID 142101132

IUPAC3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NC1CCOC1=O
InChIInChI=1S/C11H20N2O3/c1-10(2,11(3,4)12)9(15)13-7-5-6-16-8(7)14/h7H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyNYFABOGSICUDQT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.18
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide

3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide (PubChem CID 142101132) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide
PubChem CID142101132
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NC1CCOC1=O
InChIInChI=1S/C11H20N2O3/c1-10(2,11(3,4)12)9(15)13-7-5-6-16-8(7)14/h7H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyNYFABOGSICUDQT-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide (CID 142101132) is 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide is CC(C)(N)C(C)(C)C(=O)NC1CCOC1=O.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide?
The InChIKey is NYFABOGSICUDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,11(3,4)12)9(15)13-7-5-6-16-8(7)14/h7H,5-6,12H2,1-4H3,(H,13,15).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide?
3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide has a molecular weight of 228.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide is sourced from PubChem (CID 142101132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).