1-aminoethyl(ethoxy)phosphinic acid;hydrochloride

C4H13ClNO3P — CID 88714482

IUPAC1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
SMILESCCOP(=O)(O)C(C)N.Cl
InChIInChI=1S/C4H12NO3P.ClH/c1-3-8-9(6,7)4(2)5;/h4H,3,5H2,1-2H3,(H,6,7);1H
InChIKeyAFPYIIPFAMALFQ-UHFFFAOYSA-N
MW189.58 g/mol
LogP0.93
Rot. Bonds3

About 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride

1-aminoethyl(ethoxy)phosphinic acid;hydrochloride (PubChem CID 88714482) has the molecular formula C4H13ClNO3P and a molecular weight of 189.58 g/mol. Its IUPAC name is 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride.

Molecular Properties

Compound Name1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
PubChem CID88714482
Molecular FormulaC4H13ClNO3P
Molecular Weight189.58 g/mol
Exact Mass189.03
IUPAC Name1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
SMILESCCOP(=O)(O)C(C)N.Cl
InChIInChI=1S/C4H12NO3P.ClH/c1-3-8-9(6,7)4(2)5;/h4H,3,5H2,1-2H3,(H,6,7);1H
InChIKeyAFPYIIPFAMALFQ-UHFFFAOYSA-N
XLogP0.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.58
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[amino(hydroxy)methyl]-ethoxyphosphinic acid
CID 174477551
1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride
CID 22415619
1-diethoxyphosphorylethanamine
CID 5149858
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid
CID 58140328
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
ethoxy(1-hydroxyprop-2-enyl)phosphinic acid
CID 175532614
[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate
CID 175292316
diethyl hydrogen phosphate;scandium
CID 54607585
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride?
The IUPAC name of 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride (CID 88714482) is 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride.
What is the SMILES notation for 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride?
The canonical SMILES for 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride is CCOP(=O)(O)C(C)N.Cl.
What is the InChIKey of 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride?
The InChIKey is AFPYIIPFAMALFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P.ClH/c1-3-8-9(6,7)4(2)5;/h4H,3,5H2,1-2H3,(H,6,7);1H.
What are the key properties of 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride?
1-aminoethyl(ethoxy)phosphinic acid;hydrochloride has a molecular weight of 189.58 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl(ethoxy)phosphinic acid;hydrochloride is sourced from PubChem (CID 88714482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).