(3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one

C4H7FN2O — CID 13244799

IUPAC(3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one
SMILESN[C@@H]1C(=O)N[C@@H]1CF
InChIInChI=1S/C4H7FN2O/c5-1-2-3(6)4(8)7-2/h2-3H,1,6H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyKSHRKZHFWSFNEC-GBXIJSLDSA-N
MW118.11 g/mol
LogP-1.22
Rot. Bonds1

About (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one

(3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one (PubChem CID 13244799) has the molecular formula C4H7FN2O and a molecular weight of 118.11 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one
PubChem CID13244799
Molecular FormulaC4H7FN2O
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Name(3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one
SMILESN[C@@H]1C(=O)N[C@@H]1CF
InChIInChI=1S/C4H7FN2O/c5-1-2-3(6)4(8)7-2/h2-3H,1,6H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyKSHRKZHFWSFNEC-GBXIJSLDSA-N
XLogP-1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one (CID 13244799) is (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one is N[C@@H]1C(=O)N[C@@H]1CF.
What is the InChIKey of (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one?
The InChIKey is KSHRKZHFWSFNEC-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H7FN2O/c5-1-2-3(6)4(8)7-2/h2-3H,1,6H2,(H,7,8)/t2-,3+/m1/s1.
What are the key properties of (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one?
(3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one has a molecular weight of 118.11 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-(fluoromethyl)azetidin-2-one is sourced from PubChem (CID 13244799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).