N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide

C12H23FN2O — CID 167034973

IUPACN-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](CN1CC(F)C1)C(C)C
InChIInChI=1S/C12H23FN2O/c1-8(2)11(14-12(16)9(3)4)7-15-5-10(13)6-15/h8-11H,5-7H2,1-4H3,(H,14,16)/t11-/m1/s1
InChIKeyTVEJEDGTDYOXEC-LLVKDONJSA-N
MW230.33 g/mol
LogP1.44
Rot. Bonds5

About N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide

N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 167034973) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
PubChem CID167034973
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC NameN-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](CN1CC(F)C1)C(C)C
InChIInChI=1S/C12H23FN2O/c1-8(2)11(14-12(16)9(3)4)7-15-5-10(13)6-15/h8-11H,5-7H2,1-4H3,(H,14,16)/t11-/m1/s1
InChIKeyTVEJEDGTDYOXEC-LLVKDONJSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide (CID 167034973) is N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H](CN1CC(F)C1)C(C)C.
What is the InChIKey of N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is TVEJEDGTDYOXEC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-8(2)11(14-12(16)9(3)4)7-15-5-10(13)6-15/h8-11H,5-7H2,1-4H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 230.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 167034973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).