[(2-amino-2-phenylacetyl)amino]methylphosphonic acid

C9H13N2O4P — CID 15776596

IUPAC[(2-amino-2-phenylacetyl)amino]methylphosphonic acid
SMILESNC(C(=O)NCP(=O)(O)O)c1ccccc1
InChIInChI=1S/C9H13N2O4P/c10-8(7-4-2-1-3-5-7)9(12)11-6-16(13,14)15/h1-5,8H,6,10H2,(H,11,12)(H2,13,14,15)
InChIKeyNGUPZVSOSCAHCH-UHFFFAOYSA-N
MW244.19 g/mol
LogP-0.06
Rot. Bonds4

About [(2-amino-2-phenylacetyl)amino]methylphosphonic acid

[(2-amino-2-phenylacetyl)amino]methylphosphonic acid (PubChem CID 15776596) has the molecular formula C9H13N2O4P and a molecular weight of 244.19 g/mol. Its IUPAC name is [(2-amino-2-phenylacetyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-amino-2-phenylacetyl)amino]methylphosphonic acid
PubChem CID15776596
Molecular FormulaC9H13N2O4P
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name[(2-amino-2-phenylacetyl)amino]methylphosphonic acid
SMILESNC(C(=O)NCP(=O)(O)O)c1ccccc1
InChIInChI=1S/C9H13N2O4P/c10-8(7-4-2-1-3-5-7)9(12)11-6-16(13,14)15/h1-5,8H,6,10H2,(H,11,12)(H2,13,14,15)
InChIKeyNGUPZVSOSCAHCH-UHFFFAOYSA-N
XLogP-0.06
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-amino-2-phenylacetyl)amino]methylphosphonic acid?
The IUPAC name of [(2-amino-2-phenylacetyl)amino]methylphosphonic acid (CID 15776596) is [(2-amino-2-phenylacetyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-amino-2-phenylacetyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-amino-2-phenylacetyl)amino]methylphosphonic acid is NC(C(=O)NCP(=O)(O)O)c1ccccc1.
What is the InChIKey of [(2-amino-2-phenylacetyl)amino]methylphosphonic acid?
The InChIKey is NGUPZVSOSCAHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O4P/c10-8(7-4-2-1-3-5-7)9(12)11-6-16(13,14)15/h1-5,8H,6,10H2,(H,11,12)(H2,13,14,15).
What are the key properties of [(2-amino-2-phenylacetyl)amino]methylphosphonic acid?
[(2-amino-2-phenylacetyl)amino]methylphosphonic acid has a molecular weight of 244.19 g/mol, XLogP of -0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-2-phenylacetyl)amino]methylphosphonic acid is sourced from PubChem (CID 15776596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).