hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium

C6H9NO6P+ — CID 88713817

IUPAChydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium
SMILESC=CCOC(=O)C(=O)NCO[P+](=O)O
InChIInChI=1S/C6H8NO6P/c1-2-3-12-6(9)5(8)7-4-13-14(10)11/h2H,1,3-4H2,(H-,7,8,10,11)/p+1
InChIKeyZHXLHKNMINLYEO-UHFFFAOYSA-O
MW222.11 g/mol
LogP-0.54
Rot. Bonds5

About hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium

hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium (PubChem CID 88713817) has the molecular formula C6H9NO6P+ and a molecular weight of 222.11 g/mol. Its IUPAC name is hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium
PubChem CID88713817
Molecular FormulaC6H9NO6P+
Molecular Weight222.11 g/mol
Exact Mass222.02
IUPAC Namehydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium
SMILESC=CCOC(=O)C(=O)NCO[P+](=O)O
InChIInChI=1S/C6H8NO6P/c1-2-3-12-6(9)5(8)7-4-13-14(10)11/h2H,1,3-4H2,(H-,7,8,10,11)/p+1
InChIKeyZHXLHKNMINLYEO-UHFFFAOYSA-O
XLogP-0.54
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium
CID 88709203
hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium
CID 88700386
2-oxo-2-prop-2-enoxyacetate
CID 18533281
tetrakis(2-oxo-2-prop-2-enoxyacetate);titanium(4+)
CID 173131012
prop-2-enyl 2-methylidenebutanoate
CID 12684713
prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate
CID 137444605
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl 2-aminopenta-2,4-dienoate
CID 173160636
prop-2-enyl 2-(fluoromethyl)prop-2-enoate
CID 67041234
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567559
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
CID 155300738

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium (CID 88713817) is hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium is C=CCOC(=O)C(=O)NCO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium?
The InChIKey is ZHXLHKNMINLYEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8NO6P/c1-2-3-12-6(9)5(8)7-4-13-14(10)11/h2H,1,3-4H2,(H-,7,8,10,11)/p+1.
What are the key properties of hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium?
hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium has a molecular weight of 222.11 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium is sourced from PubChem (CID 88713817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).