(3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone

C7H11FN2O — CID 171524290

IUPAC(3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNC1CN(C(=O)[C@@H]2C[C@@H]2F)C1
InChIInChI=1S/C7H11FN2O/c8-6-1-5(6)7(11)10-2-4(9)3-10/h4-6H,1-3,9H2/t5-,6+/m1/s1
InChIKeyAZYAYTORAQGYGD-RITPCOANSA-N
MW158.18 g/mol
LogP-0.49
Rot. Bonds1

About (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone

(3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 171524290) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID171524290
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNC1CN(C(=O)[C@@H]2C[C@@H]2F)C1
InChIInChI=1S/C7H11FN2O/c8-6-1-5(6)7(11)10-2-4(9)3-10/h4-6H,1-3,9H2/t5-,6+/m1/s1
InChIKeyAZYAYTORAQGYGD-RITPCOANSA-N
XLogP-0.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 171524290) is (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone is NC1CN(C(=O)[C@@H]2C[C@@H]2F)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is AZYAYTORAQGYGD-RITPCOANSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-6-1-5(6)7(11)10-2-4(9)3-10/h4-6H,1-3,9H2/t5-,6+/m1/s1.
What are the key properties of (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
(3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 158.18 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 171524290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).