N-(aminomethyl)-methylphosphonamidic acid

C2H9N2O2P — CID 122549198

IUPACN-(aminomethyl)-methylphosphonamidic acid
SMILESCP(=O)(O)NCN
InChIInChI=1S/C2H9N2O2P/c1-7(5,6)4-2-3/h2-3H2,1H3,(H2,4,5,6)
InChIKeyTYBAGYKOBOCXNB-UHFFFAOYSA-N
MW124.08 g/mol
LogP-0.69
Rot. Bonds2

About N-(aminomethyl)-methylphosphonamidic acid

N-(aminomethyl)-methylphosphonamidic acid (PubChem CID 122549198) has the molecular formula C2H9N2O2P and a molecular weight of 124.08 g/mol. Its IUPAC name is N-(aminomethyl)-methylphosphonamidic acid.

Molecular Properties

Compound NameN-(aminomethyl)-methylphosphonamidic acid
PubChem CID122549198
Molecular FormulaC2H9N2O2P
Molecular Weight124.08 g/mol
Exact Mass124.04
IUPAC NameN-(aminomethyl)-methylphosphonamidic acid
SMILESCP(=O)(O)NCN
InChIInChI=1S/C2H9N2O2P/c1-7(5,6)4-2-3/h2-3H2,1H3,(H2,4,5,6)
InChIKeyTYBAGYKOBOCXNB-UHFFFAOYSA-N
XLogP-0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.08
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-methylphosphonamidic acid?
The IUPAC name of N-(aminomethyl)-methylphosphonamidic acid (CID 122549198) is N-(aminomethyl)-methylphosphonamidic acid.
What is the SMILES notation for N-(aminomethyl)-methylphosphonamidic acid?
The canonical SMILES for N-(aminomethyl)-methylphosphonamidic acid is CP(=O)(O)NCN.
What is the InChIKey of N-(aminomethyl)-methylphosphonamidic acid?
The InChIKey is TYBAGYKOBOCXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N2O2P/c1-7(5,6)4-2-3/h2-3H2,1H3,(H2,4,5,6).
What are the key properties of N-(aminomethyl)-methylphosphonamidic acid?
N-(aminomethyl)-methylphosphonamidic acid has a molecular weight of 124.08 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-methylphosphonamidic acid is sourced from PubChem (CID 122549198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).