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

C10H16N2O5 — CID 134863847

IUPAC[(2R,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-HTRCEHHLSA-N
MW244.25 g/mol
LogP-0.10
Rot. Bonds2

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

[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate (PubChem CID 134863847) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate
PubChem CID134863847
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name[(2R,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-HTRCEHHLSA-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

Analyze [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate (CID 134863847) is [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R,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 [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
The InChIKey is TTZZNLFRUVLMMT-HTRCEHHLSA-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 [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate?
[(2R,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 [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 134863847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).