aminomethyl(tert-butyl)phosphinic acid

C5H14NO2P — CID 14024293

IUPACaminomethyl(tert-butyl)phosphinic acid
SMILESCC(C)(C)P(=O)(O)CN
InChIInChI=1S/C5H14NO2P/c1-5(2,3)9(7,8)4-6/h4,6H2,1-3H3,(H,7,8)
InChIKeyPYUMFRVXBLMXJU-UHFFFAOYSA-N
MW151.15 g/mol
LogP0.97
Rot. Bonds1

About aminomethyl(tert-butyl)phosphinic acid

aminomethyl(tert-butyl)phosphinic acid (PubChem CID 14024293) has the molecular formula C5H14NO2P and a molecular weight of 151.15 g/mol. Its IUPAC name is aminomethyl(tert-butyl)phosphinic acid.

Molecular Properties

Compound Nameaminomethyl(tert-butyl)phosphinic acid
PubChem CID14024293
Molecular FormulaC5H14NO2P
Molecular Weight151.15 g/mol
Exact Mass151.08
IUPAC Nameaminomethyl(tert-butyl)phosphinic acid
SMILESCC(C)(C)P(=O)(O)CN
InChIInChI=1S/C5H14NO2P/c1-5(2,3)9(7,8)4-6/h4,6H2,1-3H3,(H,7,8)
InChIKeyPYUMFRVXBLMXJU-UHFFFAOYSA-N
XLogP0.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminomethyl(tert-butyl)phosphinic acid?
The IUPAC name of aminomethyl(tert-butyl)phosphinic acid (CID 14024293) is aminomethyl(tert-butyl)phosphinic acid.
What is the SMILES notation for aminomethyl(tert-butyl)phosphinic acid?
The canonical SMILES for aminomethyl(tert-butyl)phosphinic acid is CC(C)(C)P(=O)(O)CN.
What is the InChIKey of aminomethyl(tert-butyl)phosphinic acid?
The InChIKey is PYUMFRVXBLMXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO2P/c1-5(2,3)9(7,8)4-6/h4,6H2,1-3H3,(H,7,8).
What are the key properties of aminomethyl(tert-butyl)phosphinic acid?
aminomethyl(tert-butyl)phosphinic acid has a molecular weight of 151.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(tert-butyl)phosphinic acid is sourced from PubChem (CID 14024293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).