3-diethoxyphosphorylpropan-1-amine;oxalic acid

C9H20NO7P — CID 2733597

IUPAC3-diethoxyphosphorylpropan-1-amine;oxalic acid
SMILESCCOP(=O)(CCCN)OCC.O=C(O)C(=O)O
InChIInChI=1S/C7H18NO3P.C2H2O4/c1-3-10-12(9,11-4-2)7-5-6-8;3-1(4)2(5)6/h3-8H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUHYZWFFFPJEMAS-UHFFFAOYSA-N
MW285.23 g/mol
LogP0.76
Rot. Bonds7

About 3-diethoxyphosphorylpropan-1-amine;oxalic acid

3-diethoxyphosphorylpropan-1-amine;oxalic acid (PubChem CID 2733597) has the molecular formula C9H20NO7P and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-diethoxyphosphorylpropan-1-amine;oxalic acid.

Molecular Properties

Compound Name3-diethoxyphosphorylpropan-1-amine;oxalic acid
PubChem CID2733597
Molecular FormulaC9H20NO7P
Molecular Weight285.23 g/mol
Exact Mass285.10
IUPAC Name3-diethoxyphosphorylpropan-1-amine;oxalic acid
SMILESCCOP(=O)(CCCN)OCC.O=C(O)C(=O)O
InChIInChI=1S/C7H18NO3P.C2H2O4/c1-3-10-12(9,11-4-2)7-5-6-8;3-1(4)2(5)6/h3-8H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUHYZWFFFPJEMAS-UHFFFAOYSA-N
XLogP0.76
TPSA136.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid
CID 174887995
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid
CID 87929330
6-diethoxyphosphorylhexan-3-one
CID 91326618
4-diethoxyphosphorylbutanehydrazide
CID 156632548
8-diethoxyphosphoryloctan-1-ol
CID 10515886
1-diethoxyphosphoryldecane
CID 2773697
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-diethoxyphosphorylundecane
CID 57360026

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylpropan-1-amine;oxalic acid?
The IUPAC name of 3-diethoxyphosphorylpropan-1-amine;oxalic acid (CID 2733597) is 3-diethoxyphosphorylpropan-1-amine;oxalic acid.
What is the SMILES notation for 3-diethoxyphosphorylpropan-1-amine;oxalic acid?
The canonical SMILES for 3-diethoxyphosphorylpropan-1-amine;oxalic acid is CCOP(=O)(CCCN)OCC.O=C(O)C(=O)O.
What is the InChIKey of 3-diethoxyphosphorylpropan-1-amine;oxalic acid?
The InChIKey is UHYZWFFFPJEMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3P.C2H2O4/c1-3-10-12(9,11-4-2)7-5-6-8;3-1(4)2(5)6/h3-8H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 3-diethoxyphosphorylpropan-1-amine;oxalic acid?
3-diethoxyphosphorylpropan-1-amine;oxalic acid has a molecular weight of 285.23 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylpropan-1-amine;oxalic acid is sourced from PubChem (CID 2733597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).