[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium

C14H30N2O6P2+2 — CID 159384567

IUPAC[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium
SMILESCCOC(=O)C(C)(C)N[P+](C)=O.CCOC(=O)C(C)(C)N[P+](C)=O
InChIInChI=1S/2C7H15NO3P/c2*1-5-11-6(9)7(2,3)8-12(4)10/h2*5H2,1-4H3,(H,8,10)/q2*+1
InChIKeyYTZPUCKOIOEOFA-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.58
Rot. Bonds8

About [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium

[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium (PubChem CID 159384567) has the molecular formula C14H30N2O6P2+2 and a molecular weight of 384.35 g/mol. Its IUPAC name is [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium.

Molecular Properties

Compound Name[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium
PubChem CID159384567
Molecular FormulaC14H30N2O6P2+2
Molecular Weight384.35 g/mol
Exact Mass384.16
IUPAC Name[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium
SMILESCCOC(=O)C(C)(C)N[P+](C)=O.CCOC(=O)C(C)(C)N[P+](C)=O
InChIInChI=1S/2C7H15NO3P/c2*1-5-11-6(9)7(2,3)8-12(4)10/h2*5H2,1-4H3,(H,8,10)/q2*+1
InChIKeyYTZPUCKOIOEOFA-UHFFFAOYSA-N
XLogP2.58
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate
CID 82358602
ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
CID 120500337
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
diethyl 2-methyl-2-(trideuteriomethyl)propanedioate
CID 151989927
ethyl 2-(4,4-dimethylpentylamino)-2-methylpropanoate
CID 87560965
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
CID 14273517
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895

Frequently Asked Questions

What is the IUPAC name of [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium?
The IUPAC name of [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium (CID 159384567) is [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium.
What is the SMILES notation for [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium?
The canonical SMILES for [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium is CCOC(=O)C(C)(C)N[P+](C)=O.CCOC(=O)C(C)(C)N[P+](C)=O.
What is the InChIKey of [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium?
The InChIKey is YTZPUCKOIOEOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15NO3P/c2*1-5-11-6(9)7(2,3)8-12(4)10/h2*5H2,1-4H3,(H,8,10)/q2*+1.
What are the key properties of [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium?
[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium has a molecular weight of 384.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium is sourced from PubChem (CID 159384567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).