10-(2-methylprop-2-enoylamino)decylphosphonic acid

C14H28NO4P — CID 18935053

IUPAC10-(2-methylprop-2-enoylamino)decylphosphonic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C14H28NO4P/c1-13(2)14(16)15-11-9-7-5-3-4-6-8-10-12-20(17,18)19/h1,3-12H2,2H3,(H,15,16)(H2,17,18,19)
InChIKeyVZTLGXUGPOHFTG-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.98
Rot. Bonds12

About 10-(2-methylprop-2-enoylamino)decylphosphonic acid

10-(2-methylprop-2-enoylamino)decylphosphonic acid (PubChem CID 18935053) has the molecular formula C14H28NO4P and a molecular weight of 305.35 g/mol. Its IUPAC name is 10-(2-methylprop-2-enoylamino)decylphosphonic acid.

Molecular Properties

Compound Name10-(2-methylprop-2-enoylamino)decylphosphonic acid
PubChem CID18935053
Molecular FormulaC14H28NO4P
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name10-(2-methylprop-2-enoylamino)decylphosphonic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C14H28NO4P/c1-13(2)14(16)15-11-9-7-5-3-4-6-8-10-12-20(17,18)19/h1,3-12H2,2H3,(H,15,16)(H2,17,18,19)
InChIKeyVZTLGXUGPOHFTG-UHFFFAOYSA-N
XLogP2.98
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.98
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

11-(2-methylprop-2-enoylamino)undecylphosphonic acid
CID 102486312
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 10-(2-methylprop-2-enoylamino)decylphosphonic acid?
The IUPAC name of 10-(2-methylprop-2-enoylamino)decylphosphonic acid (CID 18935053) is 10-(2-methylprop-2-enoylamino)decylphosphonic acid.
What is the SMILES notation for 10-(2-methylprop-2-enoylamino)decylphosphonic acid?
The canonical SMILES for 10-(2-methylprop-2-enoylamino)decylphosphonic acid is C=C(C)C(=O)NCCCCCCCCCCP(=O)(O)O.
What is the InChIKey of 10-(2-methylprop-2-enoylamino)decylphosphonic acid?
The InChIKey is VZTLGXUGPOHFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO4P/c1-13(2)14(16)15-11-9-7-5-3-4-6-8-10-12-20(17,18)19/h1,3-12H2,2H3,(H,15,16)(H2,17,18,19).
What are the key properties of 10-(2-methylprop-2-enoylamino)decylphosphonic acid?
10-(2-methylprop-2-enoylamino)decylphosphonic acid has a molecular weight of 305.35 g/mol, XLogP of 2.98, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylprop-2-enoylamino)decylphosphonic acid is sourced from PubChem (CID 18935053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).