methyl 2-(diphenylphosphorylamino)acetate;praseodymium

C15H15NO3PPr- — CID 59318212

IUPACmethyl 2-(diphenylphosphorylamino)acetate;praseodymium
SMILESCOC(=O)[CH-]NP(=O)(c1ccccc1)c1ccccc1.[Pr]
InChIInChI=1S/C15H15NO3P.Pr/c1-19-15(17)12-16-20(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-12H,1H3,(H,16,18);/q-1;
InChIKeyMYCNIAGLXOFMRI-UHFFFAOYSA-N
MW429.17 g/mol
LogP1.84
Rot. Bonds5

About methyl 2-(diphenylphosphorylamino)acetate;praseodymium

methyl 2-(diphenylphosphorylamino)acetate;praseodymium (PubChem CID 59318212) has the molecular formula C15H15NO3PPr- and a molecular weight of 429.17 g/mol. Its IUPAC name is methyl 2-(diphenylphosphorylamino)acetate;praseodymium.

Molecular Properties

Compound Namemethyl 2-(diphenylphosphorylamino)acetate;praseodymium
PubChem CID59318212
Molecular FormulaC15H15NO3PPr-
Molecular Weight429.17 g/mol
Exact Mass428.99
IUPAC Namemethyl 2-(diphenylphosphorylamino)acetate;praseodymium
SMILESCOC(=O)[CH-]NP(=O)(c1ccccc1)c1ccccc1.[Pr]
InChIInChI=1S/C15H15NO3P.Pr/c1-19-15(17)12-16-20(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-12H,1H3,(H,16,18);/q-1;
InChIKeyMYCNIAGLXOFMRI-UHFFFAOYSA-N
XLogP1.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(diphenylphosphorylamino)acetate;praseodymium 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 methyl 2-(diphenylphosphorylamino)acetate;praseodymium?
The IUPAC name of methyl 2-(diphenylphosphorylamino)acetate;praseodymium (CID 59318212) is methyl 2-(diphenylphosphorylamino)acetate;praseodymium.
What is the SMILES notation for methyl 2-(diphenylphosphorylamino)acetate;praseodymium?
The canonical SMILES for methyl 2-(diphenylphosphorylamino)acetate;praseodymium is COC(=O)[CH-]NP(=O)(c1ccccc1)c1ccccc1.[Pr].
What is the InChIKey of methyl 2-(diphenylphosphorylamino)acetate;praseodymium?
The InChIKey is MYCNIAGLXOFMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3P.Pr/c1-19-15(17)12-16-20(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-12H,1H3,(H,16,18);/q-1;.
What are the key properties of methyl 2-(diphenylphosphorylamino)acetate;praseodymium?
methyl 2-(diphenylphosphorylamino)acetate;praseodymium has a molecular weight of 429.17 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diphenylphosphorylamino)acetate;praseodymium is sourced from PubChem (CID 59318212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).