tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate

C12H20N2O4 — CID 13228405

IUPACtert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate
SMILESCNC(=O)CN1C(=O)CC1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)6-8-5-10(16)14(8)7-9(15)13-4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyFVSFKFZMEFBJPG-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.07
Rot. Bonds4

About tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate

tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate (PubChem CID 13228405) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate
PubChem CID13228405
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate
SMILESCNC(=O)CN1C(=O)CC1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)6-8-5-10(16)14(8)7-9(15)13-4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyFVSFKFZMEFBJPG-UHFFFAOYSA-N
XLogP0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(2-iodoethyl)-4-oxoazetidin-1-yl]acetate
CID 121223083
tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate
CID 10036217
tert-butyl 2-[2-(azidomethyl)-5-oxopyrrolidin-1-yl]acetate
CID 18933252
tert-butyl 2-(2,3-dioxocyclopentyl)acetate
CID 91496821
tert-butyl (3aR,8aS)-7-[2-(methylamino)-2-oxoethyl]-8-oxo-3,3a,6,8a-tetrahydro-2H-pyrrolo[2,3-c]azepine-1-carboxylate
CID 23726561
tert-butyl 2-[(4R)-2-oxo-4-(3-oxo-3-phenylsulfanylpropyl)azetidin-1-yl]acetate
CID 143957858
tert-butyl 2-(1-methyl-2,6-dioxopiperidin-3-yl)acetate
CID 58127117
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
methyl (E)-4-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]oxybut-2-enoate
CID 12692439
ditert-butyl (2S,5S)-5-(2-methoxy-2-oxoethyl)pyrrolidine-1,2-dicarboxylate
CID 167395986
tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 142751695
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate?
The IUPAC name of tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate (CID 13228405) is tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate is CNC(=O)CN1C(=O)CC1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate?
The InChIKey is FVSFKFZMEFBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)6-8-5-10(16)14(8)7-9(15)13-4/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate?
tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate has a molecular weight of 256.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 13228405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).