[(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate

C9H13NO5 — CID 56622701

IUPAC[(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H](C)[C@@H]1C(=O)N[C@@H]1OC(C)=O
InChIInChI=1S/C9H13NO5/c1-4(14-5(2)11)7-8(13)10-9(7)15-6(3)12/h4,7,9H,1-3H3,(H,10,13)/t4-,7+,9+/m0/s1
InChIKeyBPCZXMVUFJDGMK-ZJKWWJTRSA-N
MW215.20 g/mol
LogP-0.43
Rot. Bonds3

About [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate

[(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 56622701) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate
PubChem CID56622701
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name[(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H](C)[C@@H]1C(=O)N[C@@H]1OC(C)=O
InChIInChI=1S/C9H13NO5/c1-4(14-5(2)11)7-8(13)10-9(7)15-6(3)12/h4,7,9H,1-3H3,(H,10,13)/t4-,7+,9+/m0/s1
InChIKeyBPCZXMVUFJDGMK-ZJKWWJTRSA-N
XLogP-0.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate (CID 56622701) is [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H](C)[C@@H]1C(=O)N[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is BPCZXMVUFJDGMK-ZJKWWJTRSA-N. The full InChI is InChI=1S/C9H13NO5/c1-4(14-5(2)11)7-8(13)10-9(7)15-6(3)12/h4,7,9H,1-3H3,(H,10,13)/t4-,7+,9+/m0/s1.
What are the key properties of [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate?
[(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 215.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[(1S)-1-acetyloxyethyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 56622701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).