(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid

C6H13N2O5P — CID 88794144

IUPAC(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid
SMILESNCC(=O)COP(=O)(O)CC(=O)CN
InChIInChI=1S/C6H13N2O5P/c7-1-5(9)3-13-14(11,12)4-6(10)2-8/h1-4,7-8H2,(H,11,12)
InChIKeyUVSCGZAYZOPGJR-UHFFFAOYSA-N
MW224.15 g/mol
LogP-1.76
Rot. Bonds7

About (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid

(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid (PubChem CID 88794144) has the molecular formula C6H13N2O5P and a molecular weight of 224.15 g/mol. Its IUPAC name is (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid.

Molecular Properties

Compound Name(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid
PubChem CID88794144
Molecular FormulaC6H13N2O5P
Molecular Weight224.15 g/mol
Exact Mass224.06
IUPAC Name(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid
SMILESNCC(=O)COP(=O)(O)CC(=O)CN
InChIInChI=1S/C6H13N2O5P/c7-1-5(9)3-13-14(11,12)4-6(10)2-8/h1-4,7-8H2,(H,11,12)
InChIKeyUVSCGZAYZOPGJR-UHFFFAOYSA-N
XLogP-1.76
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid?
The IUPAC name of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid (CID 88794144) is (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid.
What is the SMILES notation for (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid?
The canonical SMILES for (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid is NCC(=O)COP(=O)(O)CC(=O)CN.
What is the InChIKey of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid?
The InChIKey is UVSCGZAYZOPGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O5P/c7-1-5(9)3-13-14(11,12)4-6(10)2-8/h1-4,7-8H2,(H,11,12).
What are the key properties of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid?
(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid has a molecular weight of 224.15 g/mol, XLogP of -1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid is sourced from PubChem (CID 88794144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).