2-(diphenylphosphorylamino)acetic acid;praseodymium

C14H13NO3PPr- — CID 59318219

IUPAC2-(diphenylphosphorylamino)acetic acid;praseodymium
SMILESO=C(O)[CH-]NP(=O)(c1ccccc1)c1ccccc1.[Pr]
InChIInChI=1S/C14H13NO3P.Pr/c16-14(17)11-15-19(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-11H,(H,15,18)(H,16,17);/q-1;
InChIKeyPGIKMSMUPOYOFG-UHFFFAOYSA-N
MW415.14 g/mol
LogP1.75
Rot. Bonds5

About 2-(diphenylphosphorylamino)acetic acid;praseodymium

2-(diphenylphosphorylamino)acetic acid;praseodymium (PubChem CID 59318219) has the molecular formula C14H13NO3PPr- and a molecular weight of 415.14 g/mol. Its IUPAC name is 2-(diphenylphosphorylamino)acetic acid;praseodymium.

Molecular Properties

Compound Name2-(diphenylphosphorylamino)acetic acid;praseodymium
PubChem CID59318219
Molecular FormulaC14H13NO3PPr-
Molecular Weight415.14 g/mol
Exact Mass414.97
IUPAC Name2-(diphenylphosphorylamino)acetic acid;praseodymium
SMILESO=C(O)[CH-]NP(=O)(c1ccccc1)c1ccccc1.[Pr]
InChIInChI=1S/C14H13NO3P.Pr/c16-14(17)11-15-19(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-11H,(H,15,18)(H,16,17);/q-1;
InChIKeyPGIKMSMUPOYOFG-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.14
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(diphenylphosphorylamino)acetic acid;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 2-(diphenylphosphorylamino)acetic acid;praseodymium?
The IUPAC name of 2-(diphenylphosphorylamino)acetic acid;praseodymium (CID 59318219) is 2-(diphenylphosphorylamino)acetic acid;praseodymium.
What is the SMILES notation for 2-(diphenylphosphorylamino)acetic acid;praseodymium?
The canonical SMILES for 2-(diphenylphosphorylamino)acetic acid;praseodymium is O=C(O)[CH-]NP(=O)(c1ccccc1)c1ccccc1.[Pr].
What is the InChIKey of 2-(diphenylphosphorylamino)acetic acid;praseodymium?
The InChIKey is PGIKMSMUPOYOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3P.Pr/c16-14(17)11-15-19(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-11H,(H,15,18)(H,16,17);/q-1;.
What are the key properties of 2-(diphenylphosphorylamino)acetic acid;praseodymium?
2-(diphenylphosphorylamino)acetic acid;praseodymium has a molecular weight of 415.14 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylamino)acetic acid;praseodymium is sourced from PubChem (CID 59318219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).