(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one

C8H16N2O — CID 102000694

IUPAC(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one
SMILESC[C@@H]1NC(=O)[C@H]1NC(C)(C)C
InChIInChI=1S/C8H16N2O/c1-5-6(7(11)9-5)10-8(2,3)4/h5-6,10H,1-4H3,(H,9,11)/t5-,6-/m0/s1
InChIKeyXSUYVFLZSKRTTN-WDSKDSINSA-N
MW156.23 g/mol
LogP0.26
Rot. Bonds1

About (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one

(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one (PubChem CID 102000694) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one
PubChem CID102000694
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one
SMILESC[C@@H]1NC(=O)[C@H]1NC(C)(C)C
InChIInChI=1S/C8H16N2O/c1-5-6(7(11)9-5)10-8(2,3)4/h5-6,10H,1-4H3,(H,9,11)/t5-,6-/m0/s1
InChIKeyXSUYVFLZSKRTTN-WDSKDSINSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one?
The IUPAC name of (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one (CID 102000694) is (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one is C[C@@H]1NC(=O)[C@H]1NC(C)(C)C.
What is the InChIKey of (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one?
The InChIKey is XSUYVFLZSKRTTN-WDSKDSINSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-6(7(11)9-5)10-8(2,3)4/h5-6,10H,1-4H3,(H,9,11)/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one?
(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one is sourced from PubChem (CID 102000694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).