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

C10H16N2O5 — CID 13430193

IUPAC[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O5/c1-5(13)16-8-6(7(14)12-8)11-9(15)17-10(2,3)4/h6,8H,1-4H3,(H,11,15)(H,12,14)/t6-,8+/m1/s1
InChIKeyTTZZNLFRUVLMMT-SVRRBLITSA-N
MW244.25 g/mol
LogP-0.10
Rot. Bonds2

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

[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate (PubChem CID 13430193) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate
PubChem CID13430193
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O5/c1-5(13)16-8-6(7(14)12-8)11-9(15)17-10(2,3)4/h6,8H,1-4H3,(H,11,15)(H,12,14)/t6-,8+/m1/s1
InChIKeyTTZZNLFRUVLMMT-SVRRBLITSA-N
XLogP-0.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate (CID 13430193) is [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
The InChIKey is TTZZNLFRUVLMMT-SVRRBLITSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-5(13)16-8-6(7(14)12-8)11-9(15)17-10(2,3)4/h6,8H,1-4H3,(H,11,15)(H,12,14)/t6-,8+/m1/s1.
What are the key properties of [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate has a molecular weight of 244.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 13430193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).