methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate

C11H23N2O5P — CID 23401527

IUPACmethyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NP(C)(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C11H23N2O5P/c1-10(2,8(14)17-5)12-19(7,16)13-11(3,4)9(15)18-6/h1-7H3,(H2,12,13,16)
InChIKeyHKOPUUJNURLVGF-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.89
Rot. Bonds6

About methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate

methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate (PubChem CID 23401527) has the molecular formula C11H23N2O5P and a molecular weight of 294.29 g/mol. Its IUPAC name is methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate
PubChem CID23401527
Molecular FormulaC11H23N2O5P
Molecular Weight294.29 g/mol
Exact Mass294.13
IUPAC Namemethyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NP(C)(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C11H23N2O5P/c1-10(2,8(14)17-5)12-19(7,16)13-11(3,4)9(15)18-6/h1-7H3,(H2,12,13,16)
InChIKeyHKOPUUJNURLVGF-UHFFFAOYSA-N
XLogP0.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-methyl-2-(2-methylhydrazinyl)propanoate
CID 166887564
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
methyl 2-methyl-2-(sulfanylamino)propanoate
CID 59695497
methyl 2-[[(4-chlorophenoxy)-methylphosphoryl]amino]-2-methylpropanoate
CID 143327879
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
(2-chloro-1-methoxy-1-oxopropan-2-yl)phosphonic acid
CID 154585130
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
dimethyl 2-iodo-2-methylpropanedioate
CID 23080719
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
methyl 3-[tert-butyl(methoxy)phosphinothioyl]-2,2-dimethylbutanoate
CID 121309984
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate (CID 23401527) is methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NP(C)(=O)NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate?
The InChIKey is HKOPUUJNURLVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O5P/c1-10(2,8(14)17-5)12-19(7,16)13-11(3,4)9(15)18-6/h1-7H3,(H2,12,13,16).
What are the key properties of methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate?
methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate has a molecular weight of 294.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate is sourced from PubChem (CID 23401527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).