methoxy-oxo-[(propanoylamino)methoxy]phosphanium

C5H11NO4P+ — CID 174796533

IUPACmethoxy-oxo-[(propanoylamino)methoxy]phosphanium
SMILESCCC(=O)NCO[P+](=O)OC
InChIInChI=1S/C5H10NO4P/c1-3-5(7)6-4-10-11(8)9-2/h3-4H2,1-2H3/p+1
InChIKeyGDAVLOIFUUDVAI-UHFFFAOYSA-O
MW180.12 g/mol
LogP0.79
Rot. Bonds5

About methoxy-oxo-[(propanoylamino)methoxy]phosphanium

methoxy-oxo-[(propanoylamino)methoxy]phosphanium (PubChem CID 174796533) has the molecular formula C5H11NO4P+ and a molecular weight of 180.12 g/mol. Its IUPAC name is methoxy-oxo-[(propanoylamino)methoxy]phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-[(propanoylamino)methoxy]phosphanium
PubChem CID174796533
Molecular FormulaC5H11NO4P+
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Namemethoxy-oxo-[(propanoylamino)methoxy]phosphanium
SMILESCCC(=O)NCO[P+](=O)OC
InChIInChI=1S/C5H10NO4P/c1-3-5(7)6-4-10-11(8)9-2/h3-4H2,1-2H3/p+1
InChIKeyGDAVLOIFUUDVAI-UHFFFAOYSA-O
XLogP0.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125
ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
CID 175582823
ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
acetylene;N-ethylpropanamide
CID 143477358
hydroperoxy-(methylaminomethoxy)-oxophosphanium
CID 58944947
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
N-(hydroxymethyl)propanamide;methylphosphonic acid
CID 175038682
N-[[ethyl(methyl)phosphanyl]methyl]propanamide
CID 163250459
N-(2-oxopropyl)propanamide
CID 23550155
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
N-[1-(methoxymethylamino)ethenyl]propanamide
CID 155347644

Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-[(propanoylamino)methoxy]phosphanium?
The IUPAC name of methoxy-oxo-[(propanoylamino)methoxy]phosphanium (CID 174796533) is methoxy-oxo-[(propanoylamino)methoxy]phosphanium.
What is the SMILES notation for methoxy-oxo-[(propanoylamino)methoxy]phosphanium?
The canonical SMILES for methoxy-oxo-[(propanoylamino)methoxy]phosphanium is CCC(=O)NCO[P+](=O)OC.
What is the InChIKey of methoxy-oxo-[(propanoylamino)methoxy]phosphanium?
The InChIKey is GDAVLOIFUUDVAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10NO4P/c1-3-5(7)6-4-10-11(8)9-2/h3-4H2,1-2H3/p+1.
What are the key properties of methoxy-oxo-[(propanoylamino)methoxy]phosphanium?
methoxy-oxo-[(propanoylamino)methoxy]phosphanium has a molecular weight of 180.12 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-[(propanoylamino)methoxy]phosphanium is sourced from PubChem (CID 174796533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).