methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate

C10H18N2O6P- — CID 131713942

IUPACmethoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate
SMILESCOP(=O)([O-])N1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C10H19N2O6P/c1-6-7(11-9(14)18-10(2,3)4)8(13)12(6)19(15,16)17-5/h6-7H,1-5H3,(H,11,14)(H,15,16)/p-1/t6-,7-/m0/s1
InChIKeyWZUDHPVAPBJEND-BQBZGAKWSA-M
MW293.24 g/mol
LogP0.23
Rot. Bonds3

About methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate

methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate (PubChem CID 131713942) has the molecular formula C10H18N2O6P- and a molecular weight of 293.24 g/mol. Its IUPAC name is methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate.

Molecular Properties

Compound Namemethoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate
PubChem CID131713942
Molecular FormulaC10H18N2O6P-
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Namemethoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate
SMILESCOP(=O)([O-])N1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C10H19N2O6P/c1-6-7(11-9(14)18-10(2,3)4)8(13)12(6)19(15,16)17-5/h6-7H,1-5H3,(H,11,14)(H,15,16)/p-1/t6-,7-/m0/s1
InChIKeyWZUDHPVAPBJEND-BQBZGAKWSA-M
XLogP0.23
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid
CID 18640037
tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate
CID 73110709
[(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid
CID 18611426
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-(pyridin-1-ium-1-ylmethyl)azetidine-1-sulfonate
CID 70343880
tert-butyl N-[(2R,3S)-2-ethyl-1-formyl-4-oxoazetidin-3-yl]carbamate
CID 131076113
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
(4-nitrophenyl)methyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetate
CID 13489005
tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
CID 130985784
methyl 3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 12896764

Frequently Asked Questions

What is the IUPAC name of methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate?
The IUPAC name of methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate (CID 131713942) is methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate.
What is the SMILES notation for methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate?
The canonical SMILES for methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate is COP(=O)([O-])N1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C.
What is the InChIKey of methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate?
The InChIKey is WZUDHPVAPBJEND-BQBZGAKWSA-M. The full InChI is InChI=1S/C10H19N2O6P/c1-6-7(11-9(14)18-10(2,3)4)8(13)12(6)19(15,16)17-5/h6-7H,1-5H3,(H,11,14)(H,15,16)/p-1/t6-,7-/m0/s1.
What are the key properties of methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate?
methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate has a molecular weight of 293.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate is sourced from PubChem (CID 131713942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).