11-(2-methylprop-2-enoylamino)undecylphosphonic acid

C15H30NO4P — CID 102486312

IUPAC11-(2-methylprop-2-enoylamino)undecylphosphonic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C15H30NO4P/c1-14(2)15(17)16-12-10-8-6-4-3-5-7-9-11-13-21(18,19)20/h1,3-13H2,2H3,(H,16,17)(H2,18,19,20)
InChIKeyBLWMOJAYYVIDCX-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.37
Rot. Bonds13

About 11-(2-methylprop-2-enoylamino)undecylphosphonic acid

11-(2-methylprop-2-enoylamino)undecylphosphonic acid (PubChem CID 102486312) has the molecular formula C15H30NO4P and a molecular weight of 319.38 g/mol. Its IUPAC name is 11-(2-methylprop-2-enoylamino)undecylphosphonic acid.

Molecular Properties

Compound Name11-(2-methylprop-2-enoylamino)undecylphosphonic acid
PubChem CID102486312
Molecular FormulaC15H30NO4P
Molecular Weight319.38 g/mol
Exact Mass319.19
IUPAC Name11-(2-methylprop-2-enoylamino)undecylphosphonic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C15H30NO4P/c1-14(2)15(17)16-12-10-8-6-4-3-5-7-9-11-13-21(18,19)20/h1,3-13H2,2H3,(H,16,17)(H2,18,19,20)
InChIKeyBLWMOJAYYVIDCX-UHFFFAOYSA-N
XLogP3.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

10-(2-methylprop-2-enoylamino)decylphosphonic acid
CID 18935053
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
CID 88539843
N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide
CID 20684941
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
[hydroxy-[5-(2-methylprop-2-enoylamino)pentoxy]phosphoryl]oxy-trimethylazanium
CID 137354355
N-[8-[hydroxy(dimethyl)silyl]octyl]-2-methylprop-2-enamide
CID 162481107
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392

Frequently Asked Questions

What is the IUPAC name of 11-(2-methylprop-2-enoylamino)undecylphosphonic acid?
The IUPAC name of 11-(2-methylprop-2-enoylamino)undecylphosphonic acid (CID 102486312) is 11-(2-methylprop-2-enoylamino)undecylphosphonic acid.
What is the SMILES notation for 11-(2-methylprop-2-enoylamino)undecylphosphonic acid?
The canonical SMILES for 11-(2-methylprop-2-enoylamino)undecylphosphonic acid is C=C(C)C(=O)NCCCCCCCCCCCP(=O)(O)O.
What is the InChIKey of 11-(2-methylprop-2-enoylamino)undecylphosphonic acid?
The InChIKey is BLWMOJAYYVIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO4P/c1-14(2)15(17)16-12-10-8-6-4-3-5-7-9-11-13-21(18,19)20/h1,3-13H2,2H3,(H,16,17)(H2,18,19,20).
What are the key properties of 11-(2-methylprop-2-enoylamino)undecylphosphonic acid?
11-(2-methylprop-2-enoylamino)undecylphosphonic acid has a molecular weight of 319.38 g/mol, XLogP of 3.37, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylprop-2-enoylamino)undecylphosphonic acid is sourced from PubChem (CID 102486312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).