[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid

C13H15N4O9P — CID 166716068

IUPAC[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid
SMILESO=NP(=O)(O)N(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H15N4O9P/c18-9-1-2-10(19)16(9)8-7-15(27(24,25)14-23)6-5-13(22)26-17-11(20)3-4-12(17)21/h1-2H,3-8H2,(H,24,25)
InChIKeyAVMWBZXWKNUKFX-UHFFFAOYSA-N
MW402.26 g/mol
LogP-0.92
Rot. Bonds9

About [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid

[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid (PubChem CID 166716068) has the molecular formula C13H15N4O9P and a molecular weight of 402.26 g/mol. Its IUPAC name is [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid.

Molecular Properties

Compound Name[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid
PubChem CID166716068
Molecular FormulaC13H15N4O9P
Molecular Weight402.26 g/mol
Exact Mass402.06
IUPAC Name[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid
SMILESO=NP(=O)(O)N(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H15N4O9P/c18-9-1-2-10(19)16(9)8-7-15(27(24,25)14-23)6-5-13(22)26-17-11(20)3-4-12(17)21/h1-2H,3-8H2,(H,24,25)
InChIKeyAVMWBZXWKNUKFX-UHFFFAOYSA-N
XLogP-0.92
TPSA171.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid?
The IUPAC name of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid (CID 166716068) is [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid.
What is the SMILES notation for [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid?
The canonical SMILES for [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid is O=NP(=O)(O)N(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid?
The InChIKey is AVMWBZXWKNUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N4O9P/c18-9-1-2-10(19)16(9)8-7-15(27(24,25)14-23)6-5-13(22)26-17-11(20)3-4-12(17)21/h1-2H,3-8H2,(H,24,25).
What are the key properties of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid?
[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid has a molecular weight of 402.26 g/mol, XLogP of -0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-nitrosophosphinic acid is sourced from PubChem (CID 166716068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).