2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid

C8H11F3N2O6 — CID 131716454

IUPAC2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid
SMILESCC1[C@H](N)C(=O)N1OCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O4.C2HF3O2/c1-3-5(7)6(11)8(3)12-2-4(9)10;3-2(4,5)1(6)7/h3,5H,2,7H2,1H3,(H,9,10);(H,6,7)/t3?,5-;/m0./s1
InChIKeyDCSFFLIJJLMZED-UVOMTSCVSA-N
MW288.18 g/mol
LogP-0.81
Rot. Bonds3

About 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid

2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid (PubChem CID 131716454) has the molecular formula C8H11F3N2O6 and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid
PubChem CID131716454
Molecular FormulaC8H11F3N2O6
Molecular Weight288.18 g/mol
Exact Mass288.06
IUPAC Name2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid
SMILESCC1[C@H](N)C(=O)N1OCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O4.C2HF3O2/c1-3-5(7)6(11)8(3)12-2-4(9)10;3-2(4,5)1(6)7/h3,5H,2,7H2,1H3,(H,9,10);(H,6,7)/t3?,5-;/m0./s1
InChIKeyDCSFFLIJJLMZED-UVOMTSCVSA-N
XLogP-0.81
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid 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 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid (CID 131716454) is 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid is CC1[C@H](N)C(=O)N1OCC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is DCSFFLIJJLMZED-UVOMTSCVSA-N. The full InChI is InChI=1S/C6H10N2O4.C2HF3O2/c1-3-5(7)6(11)8(3)12-2-4(9)10;3-2(4,5)1(6)7/h3,5H,2,7H2,1H3,(H,9,10);(H,6,7)/t3?,5-;/m0./s1.
What are the key properties of 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid?
2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 288.18 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131716454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).