(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide

C13H24N2O2 — CID 58363509

IUPAC(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide
SMILESCNC(=O)C(=O)[C@H](CC1CCC1)NC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-10(8-9-6-5-7-9)11(16)12(17)14-4/h9-10,15H,5-8H2,1-4H3,(H,14,17)/t10-/m0/s1
InChIKeyKQNURAJFOOBCCX-JTQLQIEISA-N
MW240.35 g/mol
LogP1.25
Rot. Bonds5

About (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide

(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide (PubChem CID 58363509) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide.

Molecular Properties

Compound Name(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide
PubChem CID58363509
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide
SMILESCNC(=O)C(=O)[C@H](CC1CCC1)NC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-10(8-9-6-5-7-9)11(16)12(17)14-4/h9-10,15H,5-8H2,1-4H3,(H,14,17)/t10-/m0/s1
InChIKeyKQNURAJFOOBCCX-JTQLQIEISA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide?
The IUPAC name of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide (CID 58363509) is (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide.
What is the SMILES notation for (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide?
The canonical SMILES for (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide is CNC(=O)C(=O)[C@H](CC1CCC1)NC(C)(C)C.
What is the InChIKey of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide?
The InChIKey is KQNURAJFOOBCCX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)15-10(8-9-6-5-7-9)11(16)12(17)14-4/h9-10,15H,5-8H2,1-4H3,(H,14,17)/t10-/m0/s1.
What are the key properties of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide?
(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide has a molecular weight of 240.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide is sourced from PubChem (CID 58363509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).