methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

C7H15NO4P+ — CID 90399130

IUPACmethoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
SMILESCO[P+](=O)N[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C7H15NO4P/c1-5(2)12-7(9)6(3)8-13(10)11-4/h5-6H,1-4H3,(H,8,10)/q+1/t6-/m0/s1
InChIKeyNOOBYTZVYMTVSQ-LURJTMIESA-N
MW208.17 g/mol
LogP1.22
Rot. Bonds5

About methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium (PubChem CID 90399130) has the molecular formula C7H15NO4P+ and a molecular weight of 208.17 g/mol. Its IUPAC name is methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
PubChem CID90399130
Molecular FormulaC7H15NO4P+
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Namemethoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
SMILESCO[P+](=O)N[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C7H15NO4P/c1-5(2)12-7(9)6(3)8-13(10)11-4/h5-6H,1-4H3,(H,8,10)/q+1/t6-/m0/s1
InChIKeyNOOBYTZVYMTVSQ-LURJTMIESA-N
XLogP1.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxo-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]-(2,3,4,5,6-pentafluorophenoxy)phosphanium
CID 118196154
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
CID 173263875
propan-2-yl 2-(methylphosphanylamino)propanoate
CID 145444440
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
CID 123139392
propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
CID 170045491

Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?
The IUPAC name of methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium (CID 90399130) is methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium.
What is the SMILES notation for methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?
The canonical SMILES for methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium is CO[P+](=O)N[C@@H](C)C(=O)OC(C)C.
What is the InChIKey of methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?
The InChIKey is NOOBYTZVYMTVSQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO4P/c1-5(2)12-7(9)6(3)8-13(10)11-4/h5-6H,1-4H3,(H,8,10)/q+1/t6-/m0/s1.
What are the key properties of methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?
methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium has a molecular weight of 208.17 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium is sourced from PubChem (CID 90399130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).