2-aminoethoxy(octadecanoyl)phosphinic acid

C20H42NO4P — CID 175563947

IUPAC2-aminoethoxy(octadecanoyl)phosphinic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)P(=O)(O)OCCN
InChIInChI=1S/C20H42NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)26(23,24)25-19-18-21/h2-19,21H2,1H3,(H,23,24)
InChIKeyZQUGVPKQYHMWQC-UHFFFAOYSA-N
MW391.53 g/mol
LogP5.94
Rot. Bonds20

About 2-aminoethoxy(octadecanoyl)phosphinic acid

2-aminoethoxy(octadecanoyl)phosphinic acid (PubChem CID 175563947) has the molecular formula C20H42NO4P and a molecular weight of 391.53 g/mol. Its IUPAC name is 2-aminoethoxy(octadecanoyl)phosphinic acid.

Molecular Properties

Compound Name2-aminoethoxy(octadecanoyl)phosphinic acid
PubChem CID175563947
Molecular FormulaC20H42NO4P
Molecular Weight391.53 g/mol
Exact Mass391.29
IUPAC Name2-aminoethoxy(octadecanoyl)phosphinic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)P(=O)(O)OCCN
InChIInChI=1S/C20H42NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)26(23,24)25-19-18-21/h2-19,21H2,1H3,(H,23,24)
InChIKeyZQUGVPKQYHMWQC-UHFFFAOYSA-N
XLogP5.94
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-aminoethoxy(octadecanoyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate
CID 164513427
1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one
CID 170416262
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] nonadecanoate
CID 75958075
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
CID 52925131
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-methylpropyl] octadecanoate
CID 126575031
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] undecanoate
CID 135393492
1-di(octanoyl)phosphoryloctan-1-one
CID 175068984
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
copper;ethane-1,2-diamine;bis(octanoate)
CID 158301561
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxypropyl] octadecanoate
CID 42627604
[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] hexacosanoate
CID 134727705
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] pentacosanoate
CID 134732824

Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy(octadecanoyl)phosphinic acid?
The IUPAC name of 2-aminoethoxy(octadecanoyl)phosphinic acid (CID 175563947) is 2-aminoethoxy(octadecanoyl)phosphinic acid.
What is the SMILES notation for 2-aminoethoxy(octadecanoyl)phosphinic acid?
The canonical SMILES for 2-aminoethoxy(octadecanoyl)phosphinic acid is CCCCCCCCCCCCCCCCCC(=O)P(=O)(O)OCCN.
What is the InChIKey of 2-aminoethoxy(octadecanoyl)phosphinic acid?
The InChIKey is ZQUGVPKQYHMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)26(23,24)25-19-18-21/h2-19,21H2,1H3,(H,23,24).
What are the key properties of 2-aminoethoxy(octadecanoyl)phosphinic acid?
2-aminoethoxy(octadecanoyl)phosphinic acid has a molecular weight of 391.53 g/mol, XLogP of 5.94, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy(octadecanoyl)phosphinic acid is sourced from PubChem (CID 175563947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).