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

C6H10N2O3 — CID 70390316

IUPAC[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C6H10N2O3/c1-3(9)11-2-4-5(7)6(10)8-4/h4-5H,2,7H2,1H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyPKNHXQJTQUXEIT-UHNVWZDZSA-N
MW158.16 g/mol
LogP-1.62
Rot. Bonds2

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

[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate (PubChem CID 70390316) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate
PubChem CID70390316
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C6H10N2O3/c1-3(9)11-2-4-5(7)6(10)8-4/h4-5H,2,7H2,1H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyPKNHXQJTQUXEIT-UHNVWZDZSA-N
XLogP-1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.62
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]methyl acetate?
The IUPAC name of [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate (CID 70390316) is [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate?
The canonical SMILES for [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate is CC(=O)OC[C@H]1NC(=O)[C@H]1N.
What is the InChIKey of [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate?
The InChIKey is PKNHXQJTQUXEIT-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3(9)11-2-4-5(7)6(10)8-4/h4-5H,2,7H2,1H3,(H,8,10)/t4-,5+/m1/s1.
What are the key properties of [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate?
[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl acetate has a molecular weight of 158.16 g/mol, XLogP of -1.62, 2 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]methyl acetate is sourced from PubChem (CID 70390316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).