[(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone

C8H13FN2O — CID 170295235

IUPAC[(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone
SMILESNC[C@@H]1CCN1C(=O)[C@@H]1CC1F
InChIInChI=1S/C8H13FN2O/c9-7-3-6(7)8(12)11-2-1-5(11)4-10/h5-7H,1-4,10H2/t5-,6+,7?/m0/s1
InChIKeyOLRCGKXPZVDZAE-GFCOJPQKSA-N
MW172.20 g/mol
LogP-0.10
Rot. Bonds2

About [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone

[(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone (PubChem CID 170295235) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone
PubChem CID170295235
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name[(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone
SMILESNC[C@@H]1CCN1C(=O)[C@@H]1CC1F
InChIInChI=1S/C8H13FN2O/c9-7-3-6(7)8(12)11-2-1-5(11)4-10/h5-7H,1-4,10H2/t5-,6+,7?/m0/s1
InChIKeyOLRCGKXPZVDZAE-GFCOJPQKSA-N
XLogP-0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone (CID 170295235) is [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone is NC[C@@H]1CCN1C(=O)[C@@H]1CC1F.
What is the InChIKey of [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone?
The InChIKey is OLRCGKXPZVDZAE-GFCOJPQKSA-N. The full InChI is InChI=1S/C8H13FN2O/c9-7-3-6(7)8(12)11-2-1-5(11)4-10/h5-7H,1-4,10H2/t5-,6+,7?/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone?
[(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone has a molecular weight of 172.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)azetidin-1-yl]-[(1S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 170295235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).