bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid

C14H34N2O8P2 — CID 174887995

IUPACbis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid
SMILESCCOP(=O)(CC)CCN.CCOP(=O)(CC)CCN.O=C(O)C(=O)O
InChIInChI=1S/2C6H16NO2P.C2H2O4/c2*1-3-9-10(8,4-2)6-5-7;3-1(4)2(5)6/h2*3-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCYALEDVILFMRJB-UHFFFAOYSA-N
MW420.38 g/mol
LogP1.71
Rot. Bonds10

About bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid

bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid (PubChem CID 174887995) has the molecular formula C14H34N2O8P2 and a molecular weight of 420.38 g/mol. Its IUPAC name is bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid.

Molecular Properties

Compound Namebis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid
PubChem CID174887995
Molecular FormulaC14H34N2O8P2
Molecular Weight420.38 g/mol
Exact Mass420.18
IUPAC Namebis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid
SMILESCCOP(=O)(CC)CCN.CCOP(=O)(CC)CCN.O=C(O)C(=O)O
InChIInChI=1S/2C6H16NO2P.C2H2O4/c2*1-3-9-10(8,4-2)6-5-7;3-1(4)2(5)6/h2*3-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCYALEDVILFMRJB-UHFFFAOYSA-N
XLogP1.71
TPSA179.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(ethyl)phosphoryl]ethanamine
CID 142790318
3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
[ethoxy(ethyl)phosphoryl]methanol
CID 129384384
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
2-aminoethylphosphonic acid;oxalic acid
CID 87621016
oxalic acid;bis(propan-1-amine)
CID 173398819
4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid
CID 87765641
ethyl 3-[ethoxy(propyl)phosphoryl]propanoate
CID 14963465
acetic acid;triethyl phosphate
CID 161446956
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
1-diethoxyphosphoryl-3-methylbutan-1-amine;oxalic acid
CID 12635018
ethyl [ethoxy(ethyl)phosphoryl]formate
CID 87463018

Frequently Asked Questions

What is the IUPAC name of bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid?
The IUPAC name of bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid (CID 174887995) is bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid.
What is the SMILES notation for bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid?
The canonical SMILES for bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid is CCOP(=O)(CC)CCN.CCOP(=O)(CC)CCN.O=C(O)C(=O)O.
What is the InChIKey of bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid?
The InChIKey is CYALEDVILFMRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16NO2P.C2H2O4/c2*1-3-9-10(8,4-2)6-5-7;3-1(4)2(5)6/h2*3-7H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid?
bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid has a molecular weight of 420.38 g/mol, XLogP of 1.71, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid is sourced from PubChem (CID 174887995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).