2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid

C11H13N2O5P — CID 136929366

IUPAC2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid
SMILESCOP(=O)(OCCc1ccccc1)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C11H13N2O5P/c1-17-19(16,10(13-12)11(14)15)18-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyZGQJGAOEURBAHC-UHFFFAOYSA-N
MW284.21 g/mol
LogP1.80
Rot. Bonds7

About 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid

2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid (PubChem CID 136929366) has the molecular formula C11H13N2O5P and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid.

Molecular Properties

Compound Name2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid
PubChem CID136929366
Molecular FormulaC11H13N2O5P
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC Name2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid
SMILESCOP(=O)(OCCc1ccccc1)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C11H13N2O5P/c1-17-19(16,10(13-12)11(14)15)18-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyZGQJGAOEURBAHC-UHFFFAOYSA-N
XLogP1.80
TPSA109.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3-diazo-3-dimethoxyphosphorylpropyl)benzene
CID 24975952
(2-diazo-2-dimethoxyphosphorylethyl)benzene
CID 14789373
1-dimethoxyphosphoryl-5-phenylpentan-1-one
CID 118861235
2-methoxyethylbenzene
CID 19089
1-[2-[(N-benzylanilino)methyl]phenyl]-2-diazo-2-dimethoxyphosphorylethanone
CID 85347022
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364
2-diazo-4-phenylbutanoic acid
CID 137093485
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
2-phenylethyl acetate
CID 7654
methyl 2-diazo-5-phenylpentanoate
CID 74317102

Frequently Asked Questions

What is the IUPAC name of 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid?
The IUPAC name of 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid (CID 136929366) is 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid.
What is the SMILES notation for 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid?
The canonical SMILES for 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid is COP(=O)(OCCc1ccccc1)C(=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid?
The InChIKey is ZGQJGAOEURBAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O5P/c1-17-19(16,10(13-12)11(14)15)18-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,15).
What are the key properties of 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid?
2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid has a molecular weight of 284.21 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid is sourced from PubChem (CID 136929366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).