butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium

C9H19NO6P+ — CID 88709203

IUPACbutane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium
SMILESCCCC.CCOC(=O)C(=O)NCO[P+](=O)O
InChIInChI=1S/C5H8NO6P.C4H10/c1-2-11-5(8)4(7)6-3-12-13(9)10;1-3-4-2/h2-3H2,1H3,(H-,6,7,9,10);3-4H2,1-2H3/p+1
InChIKeyXYMIUBHVZXSHDF-UHFFFAOYSA-O
MW268.23 g/mol
LogP1.10
Rot. Bonds5

About butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium

butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium (PubChem CID 88709203) has the molecular formula C9H19NO6P+ and a molecular weight of 268.23 g/mol. Its IUPAC name is butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebutane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium
PubChem CID88709203
Molecular FormulaC9H19NO6P+
Molecular Weight268.23 g/mol
Exact Mass268.09
IUPAC Namebutane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium
SMILESCCCC.CCOC(=O)C(=O)NCO[P+](=O)O
InChIInChI=1S/C5H8NO6P.C4H10/c1-2-11-5(8)4(7)6-3-12-13(9)10;1-3-4-2/h2-3H2,1H3,(H-,6,7,9,10);3-4H2,1-2H3/p+1
InChIKeyXYMIUBHVZXSHDF-UHFFFAOYSA-O
XLogP1.10
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.10
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium
CID 88713817
butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
CID 87841333
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
ethyl 2-oxo-2-(2-oxopropylamino)acetate
CID 57348900
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
CID 60894132
1-O-ethyl 2-O-propyl oxalate
CID 6420312
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
CID 118588536
ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate
CID 79351134
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
CID 91619483
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732

Frequently Asked Questions

What is the IUPAC name of butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium?
The IUPAC name of butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium (CID 88709203) is butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium?
The canonical SMILES for butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium is CCCC.CCOC(=O)C(=O)NCO[P+](=O)O.
What is the InChIKey of butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium?
The InChIKey is XYMIUBHVZXSHDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8NO6P.C4H10/c1-2-11-5(8)4(7)6-3-12-13(9)10;1-3-4-2/h2-3H2,1H3,(H-,6,7,9,10);3-4H2,1-2H3/p+1.
What are the key properties of butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium?
butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium has a molecular weight of 268.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88709203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).