N-amino-N-phenyl-propylphosphonamidic acid

C9H15N2O2P — CID 70467317

IUPACN-amino-N-phenyl-propylphosphonamidic acid
SMILESCCCP(=O)(O)N(N)c1ccccc1
InChIInChI=1S/C9H15N2O2P/c1-2-8-14(12,13)11(10)9-6-4-3-5-7-9/h3-7H,2,8,10H2,1H3,(H,12,13)
InChIKeyVJPKDWWGOCFHLL-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.96
Rot. Bonds4

About N-amino-N-phenyl-propylphosphonamidic acid

N-amino-N-phenyl-propylphosphonamidic acid (PubChem CID 70467317) has the molecular formula C9H15N2O2P and a molecular weight of 214.21 g/mol. Its IUPAC name is N-amino-N-phenyl-propylphosphonamidic acid.

Molecular Properties

Compound NameN-amino-N-phenyl-propylphosphonamidic acid
PubChem CID70467317
Molecular FormulaC9H15N2O2P
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC NameN-amino-N-phenyl-propylphosphonamidic acid
SMILESCCCP(=O)(O)N(N)c1ccccc1
InChIInChI=1S/C9H15N2O2P/c1-2-8-14(12,13)11(10)9-6-4-3-5-7-9/h3-7H,2,8,10H2,1H3,(H,12,13)
InChIKeyVJPKDWWGOCFHLL-UHFFFAOYSA-N
XLogP1.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-amino-N-phenyl-propylphosphonamidic 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 N-amino-N-phenyl-propylphosphonamidic acid?
The IUPAC name of N-amino-N-phenyl-propylphosphonamidic acid (CID 70467317) is N-amino-N-phenyl-propylphosphonamidic acid.
What is the SMILES notation for N-amino-N-phenyl-propylphosphonamidic acid?
The canonical SMILES for N-amino-N-phenyl-propylphosphonamidic acid is CCCP(=O)(O)N(N)c1ccccc1.
What is the InChIKey of N-amino-N-phenyl-propylphosphonamidic acid?
The InChIKey is VJPKDWWGOCFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O2P/c1-2-8-14(12,13)11(10)9-6-4-3-5-7-9/h3-7H,2,8,10H2,1H3,(H,12,13).
What are the key properties of N-amino-N-phenyl-propylphosphonamidic acid?
N-amino-N-phenyl-propylphosphonamidic acid has a molecular weight of 214.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-phenyl-propylphosphonamidic acid is sourced from PubChem (CID 70467317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).