methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid

C6H12NO4P — CID 90210674

IUPACmethyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid
SMILESC=C(C)C(=O)NCOP(C)(=O)O
InChIInChI=1S/C6H12NO4P/c1-5(2)6(8)7-4-11-12(3,9)10/h1,4H2,2-3H3,(H,7,8)(H,9,10)
InChIKeyACVCBWDRVUQYSE-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.47
Rot. Bonds4

About methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid

methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid (PubChem CID 90210674) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid
PubChem CID90210674
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Namemethyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid
SMILESC=C(C)C(=O)NCOP(C)(=O)O
InChIInChI=1S/C6H12NO4P/c1-5(2)6(8)7-4-11-12(3,9)10/h1,4H2,2-3H3,(H,7,8)(H,9,10)
InChIKeyACVCBWDRVUQYSE-UHFFFAOYSA-N
XLogP0.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
3-[(2-methylprop-2-enoylamino)methyl]pentan-3-ylphosphonic acid
CID 87115726
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
CID 88539843
10-(2-methylprop-2-enoylamino)decylphosphonic acid
CID 18935053
11-(2-methylprop-2-enoylamino)undecylphosphonic acid
CID 102486312
2-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435
N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide
CID 2785305
[hydroxy-[5-(2-methylprop-2-enoylamino)pentoxy]phosphoryl]oxy-trimethylazanium
CID 137354355
methyl-(2-methyl-3-oxobutoxy)phosphinic acid
CID 89028754
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
CID 123448729

Frequently Asked Questions

What is the IUPAC name of methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid?
The IUPAC name of methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid (CID 90210674) is methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid.
What is the SMILES notation for methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid?
The canonical SMILES for methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid is C=C(C)C(=O)NCOP(C)(=O)O.
What is the InChIKey of methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid?
The InChIKey is ACVCBWDRVUQYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-5(2)6(8)7-4-11-12(3,9)10/h1,4H2,2-3H3,(H,7,8)(H,9,10).
What are the key properties of methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid?
methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid has a molecular weight of 193.14 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid is sourced from PubChem (CID 90210674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).