2-aminoethylphosphonic acid;oxalic acid

C4H10NO7P — CID 87621016

IUPAC2-aminoethylphosphonic acid;oxalic acid
SMILESNCCP(=O)(O)O.O=C(O)C(=O)O
InChIInChI=1S/C2H8NO3P.C2H2O4/c3-1-2-7(4,5)6;3-1(4)2(5)6/h1-3H2,(H2,4,5,6);(H,3,4)(H,5,6)
InChIKeyAKXNNBIIFMSTBX-UHFFFAOYSA-N
MW215.10 g/mol
LogP-1.72
Rot. Bonds2

About 2-aminoethylphosphonic acid;oxalic acid

2-aminoethylphosphonic acid;oxalic acid (PubChem CID 87621016) has the molecular formula C4H10NO7P and a molecular weight of 215.10 g/mol. Its IUPAC name is 2-aminoethylphosphonic acid;oxalic acid.

Molecular Properties

Compound Name2-aminoethylphosphonic acid;oxalic acid
PubChem CID87621016
Molecular FormulaC4H10NO7P
Molecular Weight215.10 g/mol
Exact Mass215.02
IUPAC Name2-aminoethylphosphonic acid;oxalic acid
SMILESNCCP(=O)(O)O.O=C(O)C(=O)O
InChIInChI=1S/C2H8NO3P.C2H2O4/c3-1-2-7(4,5)6;3-1(4)2(5)6/h1-3H2,(H2,4,5,6);(H,3,4)(H,5,6)
InChIKeyAKXNNBIIFMSTBX-UHFFFAOYSA-N
XLogP-1.72
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
4-phosphonobutylphosphonic acid;propane-1,3-diamine
CID 18949670
cobalt;bis(ethane-1,2-diamine);oxalic acid
CID 50897291
bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid
CID 174887995
3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
CID 88769819
oxalic acid;bis(propan-1-amine)
CID 173398819
3-phosphonopropanoic acid;zirconium
CID 88720720
3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid
CID 4834928
aminomethylphosphonic acid;azane
CID 173452353
aminomethylphosphonic acid;hydrate
CID 172785575
bis(barium(2+));hydride;oxalic acid;phosphoric acid
CID 173360168
aminomethylphosphonic acid;oxaldehydic acid
CID 19801371

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylphosphonic acid;oxalic acid?
The IUPAC name of 2-aminoethylphosphonic acid;oxalic acid (CID 87621016) is 2-aminoethylphosphonic acid;oxalic acid.
What is the SMILES notation for 2-aminoethylphosphonic acid;oxalic acid?
The canonical SMILES for 2-aminoethylphosphonic acid;oxalic acid is NCCP(=O)(O)O.O=C(O)C(=O)O.
What is the InChIKey of 2-aminoethylphosphonic acid;oxalic acid?
The InChIKey is AKXNNBIIFMSTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO3P.C2H2O4/c3-1-2-7(4,5)6;3-1(4)2(5)6/h1-3H2,(H2,4,5,6);(H,3,4)(H,5,6).
What are the key properties of 2-aminoethylphosphonic acid;oxalic acid?
2-aminoethylphosphonic acid;oxalic acid has a molecular weight of 215.10 g/mol, XLogP of -1.72, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylphosphonic acid;oxalic acid is sourced from PubChem (CID 87621016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).