[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid

C14H33NO5P2 — CID 87929330

IUPAC[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid
SMILESCCOP(=O)(CCCCCCCCCCCN)OP(C)(=O)O
InChIInChI=1S/C14H33NO5P2/c1-3-19-22(18,20-21(2,16)17)14-12-10-8-6-4-5-7-9-11-13-15/h3-15H2,1-2H3,(H,16,17)
InChIKeyMFPXXMQCLXXRGW-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.52
Rot. Bonds15

About [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid

[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid (PubChem CID 87929330) has the molecular formula C14H33NO5P2 and a molecular weight of 357.37 g/mol. Its IUPAC name is [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid
PubChem CID87929330
Molecular FormulaC14H33NO5P2
Molecular Weight357.37 g/mol
Exact Mass357.18
IUPAC Name[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid
SMILESCCOP(=O)(CCCCCCCCCCCN)OP(C)(=O)O
InChIInChI=1S/C14H33NO5P2/c1-3-19-22(18,20-21(2,16)17)14-12-10-8-6-4-5-7-9-11-13-15/h3-15H2,1-2H3,(H,16,17)
InChIKeyMFPXXMQCLXXRGW-UHFFFAOYSA-N
XLogP4.52
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
8-diethoxyphosphoryloctan-1-ol
CID 10515886
13-[[[11-aminotridecyl(ethoxy)phosphoryl]oxy-methylphosphoryl]oxy-ethoxyphosphoryl]tridecan-3-amine
CID 87880304
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
6-aminohexoxy(methyl)phosphinic acid;ethane
CID 166146480
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
tris(hexadecan-1-amine);phosphoric acid
CID 173300602

Frequently Asked Questions

What is the IUPAC name of [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid?
The IUPAC name of [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid (CID 87929330) is [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid.
What is the SMILES notation for [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid?
The canonical SMILES for [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid is CCOP(=O)(CCCCCCCCCCCN)OP(C)(=O)O.
What is the InChIKey of [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid?
The InChIKey is MFPXXMQCLXXRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO5P2/c1-3-19-22(18,20-21(2,16)17)14-12-10-8-6-4-5-7-9-11-13-15/h3-15H2,1-2H3,(H,16,17).
What are the key properties of [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid?
[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid has a molecular weight of 357.37 g/mol, XLogP of 4.52, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid is sourced from PubChem (CID 87929330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).