ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium

C9H19NO4P+ — CID 138482171

IUPACethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium
SMILESCCO[P+](=O)N[C@@H](C(=O)OC)C(C)(C)C
InChIInChI=1S/C9H19NO4P/c1-6-14-15(12)10-7(8(11)13-5)9(2,3)4/h7H,6H2,1-5H3,(H,10,12)/q+1/t7-/m0/s1
InChIKeyTVMLRIHWDCQEIH-ZETCQYMHSA-N
MW236.23 g/mol
LogP1.86
Rot. Bonds5

About ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium

ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium (PubChem CID 138482171) has the molecular formula C9H19NO4P+ and a molecular weight of 236.23 g/mol. Its IUPAC name is ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium.

Molecular Properties

Compound Nameethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium
PubChem CID138482171
Molecular FormulaC9H19NO4P+
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Nameethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium
SMILESCCO[P+](=O)N[C@@H](C(=O)OC)C(C)(C)C
InChIInChI=1S/C9H19NO4P/c1-6-14-15(12)10-7(8(11)13-5)9(2,3)4/h7H,6H2,1-5H3,(H,10,12)/q+1/t7-/m0/s1
InChIKeyTVMLRIHWDCQEIH-ZETCQYMHSA-N
XLogP1.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium with MolForge

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Related Compounds

ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate
CID 144704332
methyl (2S)-2-formamido-3,3-dimethylbutanoate
CID 89249938
methyl (2S)-2-(2-bromoprop-2-enylamino)-3,3-dimethylbutanoate
CID 84591628
CID 158506606
CID 158506606
ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
CID 62540120
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
propyl 3,3-dimethyl-2-(propoxycarbonylamino)butanoate
CID 91702788
ethyl (2S)-2-(methanesulfonamido)-3,3-dimethylbutanoate
CID 15321974
CID 175269376
CID 175269376
methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
CID 62395625
lithium;ethoxy-methoxycarbonyloxy-oxophosphanium;hydride
CID 175403249
1-O-ethyl 3-O-methyl (2S)-2-methoxypropanedioate
CID 97304780

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium?
The IUPAC name of ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium (CID 138482171) is ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium.
What is the SMILES notation for ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium?
The canonical SMILES for ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium is CCO[P+](=O)N[C@@H](C(=O)OC)C(C)(C)C.
What is the InChIKey of ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium?
The InChIKey is TVMLRIHWDCQEIH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO4P/c1-6-14-15(12)10-7(8(11)13-5)9(2,3)4/h7H,6H2,1-5H3,(H,10,12)/q+1/t7-/m0/s1.
What are the key properties of ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium?
ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium has a molecular weight of 236.23 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium is sourced from PubChem (CID 138482171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).