acetic acid;cyano(ethoxy)phosphinic acid;ethanamine

C7H17N2O5P — CID 173298559

IUPACacetic acid;cyano(ethoxy)phosphinic acid;ethanamine
SMILESCC(=O)O.CCN.CCOP(=O)(O)C#N
InChIInChI=1S/C3H6NO3P.C2H7N.C2H4O2/c1-2-7-8(5,6)3-4;1-2-3;1-2(3)4/h2H2,1H3,(H,5,6);2-3H2,1H3;1H3,(H,3,4)
InChIKeyGKSGBYMMEQOZDR-UHFFFAOYSA-N
MW240.20 g/mol
LogP0.75
Rot. Bonds2

About acetic acid;cyano(ethoxy)phosphinic acid;ethanamine

acetic acid;cyano(ethoxy)phosphinic acid;ethanamine (PubChem CID 173298559) has the molecular formula C7H17N2O5P and a molecular weight of 240.20 g/mol. Its IUPAC name is acetic acid;cyano(ethoxy)phosphinic acid;ethanamine.

Molecular Properties

Compound Nameacetic acid;cyano(ethoxy)phosphinic acid;ethanamine
PubChem CID173298559
Molecular FormulaC7H17N2O5P
Molecular Weight240.20 g/mol
Exact Mass240.09
IUPAC Nameacetic acid;cyano(ethoxy)phosphinic acid;ethanamine
SMILESCC(=O)O.CCN.CCOP(=O)(O)C#N
InChIInChI=1S/C3H6NO3P.C2H7N.C2H4O2/c1-2-7-8(5,6)3-4;1-2-3;1-2(3)4/h2H2,1H3,(H,5,6);2-3H2,1H3;1H3,(H,3,4)
InChIKeyGKSGBYMMEQOZDR-UHFFFAOYSA-N
XLogP0.75
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;triethyl phosphate
CID 161446956
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
diethyl hydrogen phosphate;scandium
CID 54607585
acetic acid;acetonitrile;1,2-dimethoxyethane;ethyl acetate
CID 173461682
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
acetamide;acetic acid;ethanamine;propane
CID 160501368
diethyl hydrogen phosphate;formonitrile
CID 87389342
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853
acetic acid;ethyl acetate;methanol;hydrate
CID 22501395

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyano(ethoxy)phosphinic acid;ethanamine?
The IUPAC name of acetic acid;cyano(ethoxy)phosphinic acid;ethanamine (CID 173298559) is acetic acid;cyano(ethoxy)phosphinic acid;ethanamine.
What is the SMILES notation for acetic acid;cyano(ethoxy)phosphinic acid;ethanamine?
The canonical SMILES for acetic acid;cyano(ethoxy)phosphinic acid;ethanamine is CC(=O)O.CCN.CCOP(=O)(O)C#N.
What is the InChIKey of acetic acid;cyano(ethoxy)phosphinic acid;ethanamine?
The InChIKey is GKSGBYMMEQOZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P.C2H7N.C2H4O2/c1-2-7-8(5,6)3-4;1-2-3;1-2(3)4/h2H2,1H3,(H,5,6);2-3H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;cyano(ethoxy)phosphinic acid;ethanamine?
acetic acid;cyano(ethoxy)phosphinic acid;ethanamine has a molecular weight of 240.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyano(ethoxy)phosphinic acid;ethanamine is sourced from PubChem (CID 173298559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).