[(2-aminoacetyl)amino]methylphosphonic acid

C3H9N2O4P — CID 15109513

IUPAC[(2-aminoacetyl)amino]methylphosphonic acid
SMILESNCC(=O)NCP(=O)(O)O
InChIInChI=1S/C3H9N2O4P/c4-1-3(6)5-2-10(7,8)9/h1-2,4H2,(H,5,6)(H2,7,8,9)
InChIKeyJZCSMMPWEAKXBU-UHFFFAOYSA-N
MW168.09 g/mol
LogP-1.80
Rot. Bonds3

About [(2-aminoacetyl)amino]methylphosphonic acid

[(2-aminoacetyl)amino]methylphosphonic acid (PubChem CID 15109513) has the molecular formula C3H9N2O4P and a molecular weight of 168.09 g/mol. Its IUPAC name is [(2-aminoacetyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-aminoacetyl)amino]methylphosphonic acid
PubChem CID15109513
Molecular FormulaC3H9N2O4P
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Name[(2-aminoacetyl)amino]methylphosphonic acid
SMILESNCC(=O)NCP(=O)(O)O
InChIInChI=1S/C3H9N2O4P/c4-1-3(6)5-2-10(7,8)9/h1-2,4H2,(H,5,6)(H2,7,8,9)
InChIKeyJZCSMMPWEAKXBU-UHFFFAOYSA-N
XLogP-1.80
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 5-1.80
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-aminoacetyl)amino]methylphosphonic acid?
The IUPAC name of [(2-aminoacetyl)amino]methylphosphonic acid (CID 15109513) is [(2-aminoacetyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-aminoacetyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-aminoacetyl)amino]methylphosphonic acid is NCC(=O)NCP(=O)(O)O.
What is the InChIKey of [(2-aminoacetyl)amino]methylphosphonic acid?
The InChIKey is JZCSMMPWEAKXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O4P/c4-1-3(6)5-2-10(7,8)9/h1-2,4H2,(H,5,6)(H2,7,8,9).
What are the key properties of [(2-aminoacetyl)amino]methylphosphonic acid?
[(2-aminoacetyl)amino]methylphosphonic acid has a molecular weight of 168.09 g/mol, XLogP of -1.80, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-aminoacetyl)amino]methylphosphonic acid is sourced from PubChem (CID 15109513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).