[(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate

C15H26N2O5 — CID 23259033

IUPAC[(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate
SMILESC[C@H](OC(=O)N(C)C)[C@H]1NC(=O)[C@@H]1[C@@H](C)OC1CCCCO1
InChIInChI=1S/C15H26N2O5/c1-9(21-11-7-5-6-8-20-11)12-13(16-14(12)18)10(2)22-15(19)17(3)4/h9-13H,5-8H2,1-4H3,(H,16,18)/t9-,10+,11?,12-,13-/m1/s1
InChIKeyTXIAKXXRHGLHIM-NRUFJFEESA-N
MW314.38 g/mol
LogP1.12
Rot. Bonds5

About [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate

[(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate (PubChem CID 23259033) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate
PubChem CID23259033
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name[(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate
SMILESC[C@H](OC(=O)N(C)C)[C@H]1NC(=O)[C@@H]1[C@@H](C)OC1CCCCO1
InChIInChI=1S/C15H26N2O5/c1-9(21-11-7-5-6-8-20-11)12-13(16-14(12)18)10(2)22-15(19)17(3)4/h9-13H,5-8H2,1-4H3,(H,16,18)/t9-,10+,11?,12-,13-/m1/s1
InChIKeyTXIAKXXRHGLHIM-NRUFJFEESA-N
XLogP1.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate with MolForge

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Related Compounds

[(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] 4-nitrobenzoate
CID 102268769
2-(oxan-2-yloxy)propanoic acid
CID 542280
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704
(2R)-1-morpholin-4-yl-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 92982714
(E)-5-(oxan-2-yloxy)-4-oxohex-2-enoic acid
CID 10823217
1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 118421064
1-(2,5-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
CID 16662814
(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810
2-butan-2-yloxyoxane
CID 559028
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate?
The IUPAC name of [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate (CID 23259033) is [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate.
What is the SMILES notation for [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate?
The canonical SMILES for [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate is C[C@H](OC(=O)N(C)C)[C@H]1NC(=O)[C@@H]1[C@@H](C)OC1CCCCO1.
What is the InChIKey of [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate?
The InChIKey is TXIAKXXRHGLHIM-NRUFJFEESA-N. The full InChI is InChI=1S/C15H26N2O5/c1-9(21-11-7-5-6-8-20-11)12-13(16-14(12)18)10(2)22-15(19)17(3)4/h9-13H,5-8H2,1-4H3,(H,16,18)/t9-,10+,11?,12-,13-/m1/s1.
What are the key properties of [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate?
[(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate has a molecular weight of 314.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2S,3S)-3-[(1R)-1-(oxan-2-yloxy)ethyl]-4-oxoazetidin-2-yl]ethyl] N,N-dimethylcarbamate is sourced from PubChem (CID 23259033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).