[10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid

C14H29NO7P2 — CID 134594273

IUPAC[10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid
SMILESC=C(C)C(=O)NCCCCCCCCCC(OP(=O)(O)O)P(O)O
InChIInChI=1S/C14H29NO7P2/c1-12(2)14(16)15-11-9-7-5-3-4-6-8-10-13(23(17)18)22-24(19,20)21/h13,17-18H,1,3-11H2,2H3,(H,15,16)(H2,19,20,21)
InChIKeyUKNWLODUXXWMMA-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.53
Rot. Bonds14

About [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid

[10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid (PubChem CID 134594273) has the molecular formula C14H29NO7P2 and a molecular weight of 385.33 g/mol. Its IUPAC name is [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid.

Molecular Properties

Compound Name[10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid
PubChem CID134594273
Molecular FormulaC14H29NO7P2
Molecular Weight385.33 g/mol
Exact Mass385.14
IUPAC Name[10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid
SMILESC=C(C)C(=O)NCCCCCCCCCC(OP(=O)(O)O)P(O)O
InChIInChI=1S/C14H29NO7P2/c1-12(2)14(16)15-11-9-7-5-3-4-6-8-10-13(23(17)18)22-24(19,20)21/h13,17-18H,1,3-11H2,2H3,(H,15,16)(H2,19,20,21)
InChIKeyUKNWLODUXXWMMA-UHFFFAOYSA-N
XLogP2.53
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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
11-(2-methylprop-2-enoylamino)undecylphosphonic acid
CID 102486312
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
CID 88539843
N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide
CID 20684941
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
N-icosyl-2-methylprop-2-enamide
CID 22336363
[hydroxy-[5-(2-methylprop-2-enoylamino)pentoxy]phosphoryl]oxy-trimethylazanium
CID 137354355
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
[6-[1,3-bis(2-methylprop-2-enoylamino)propan-2-yloxy]-1-phosphonooxyhexyl]phosphonic acid
CID 131972714
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)
CID 59856363

Frequently Asked Questions

What is the IUPAC name of [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid?
The IUPAC name of [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid (CID 134594273) is [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid.
What is the SMILES notation for [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid?
The canonical SMILES for [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid is C=C(C)C(=O)NCCCCCCCCCC(OP(=O)(O)O)P(O)O.
What is the InChIKey of [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid?
The InChIKey is UKNWLODUXXWMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO7P2/c1-12(2)14(16)15-11-9-7-5-3-4-6-8-10-13(23(17)18)22-24(19,20)21/h13,17-18H,1,3-11H2,2H3,(H,15,16)(H2,19,20,21).
What are the key properties of [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid?
[10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid has a molecular weight of 385.33 g/mol, XLogP of 2.53, 14 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(2-methylprop-2-enoylamino)-1-phosphonooxydecyl]phosphonous acid is sourced from PubChem (CID 134594273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).