[(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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Related Compounds

[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
CID 173351934
(4-oxo-3-phenylazetidin-2-yl) acetate
CID 18318993
[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate
CID 12512972
[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate
CID 94839790
[3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate
CID 173408020
[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate
CID 123813646
[4-oxo-3-[1-(2,2,2-trichloroethoxycarbonyloxy)ethyl]azetidin-2-yl] acetate
CID 13491540
[3-[2,2-bis[[2,3-dimethylbutan-2-yl(methyl)silyl]oxy]ethyl]-4-oxoazetidin-2-yl] acetate
CID 173390096
[(2R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate
CID 173351966
[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate
CID 173253870
CID 68821757
CID 68821757

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).