[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate

C5H8N2O3 — CID 15428308

IUPAC[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1N
InChIInChI=1S/C5H8N2O3/c1-2(8)10-5-3(6)4(9)7-5/h3,5H,6H2,1H3,(H,7,9)/t3-,5+/m1/s1
InChIKeyKTIXRADTIPRGDB-WUJLRWPWSA-N
MW144.13 g/mol
LogP-1.67
Rot. Bonds1

About [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate

[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate (PubChem CID 15428308) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
PubChem CID15428308
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1N
InChIInChI=1S/C5H8N2O3/c1-2(8)10-5-3(6)4(9)7-5/h3,5H,6H2,1H3,(H,7,9)/t3-,5+/m1/s1
InChIKeyKTIXRADTIPRGDB-WUJLRWPWSA-N
XLogP-1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate (CID 15428308) is [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H]1NC(=O)[C@H]1N.
What is the InChIKey of [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate?
The InChIKey is KTIXRADTIPRGDB-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-2(8)10-5-3(6)4(9)7-5/h3,5H,6H2,1H3,(H,7,9)/t3-,5+/m1/s1.
What are the key properties of [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate?
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate has a molecular weight of 144.13 g/mol, XLogP of -1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 15428308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).