methyl(propylaminomethyl)phosphinic acid

C5H14NO2P — CID 13171111

IUPACmethyl(propylaminomethyl)phosphinic acid
SMILESCCCNCP(C)(=O)O
InChIInChI=1S/C5H14NO2P/c1-3-4-6-5-9(2,7)8/h6H,3-5H2,1-2H3,(H,7,8)
InChIKeyNBVVFUAHDNHTPS-UHFFFAOYSA-N
MW151.15 g/mol
LogP0.84
Rot. Bonds4

About methyl(propylaminomethyl)phosphinic acid

methyl(propylaminomethyl)phosphinic acid (PubChem CID 13171111) has the molecular formula C5H14NO2P and a molecular weight of 151.15 g/mol. Its IUPAC name is methyl(propylaminomethyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(propylaminomethyl)phosphinic acid
PubChem CID13171111
Molecular FormulaC5H14NO2P
Molecular Weight151.15 g/mol
Exact Mass151.08
IUPAC Namemethyl(propylaminomethyl)phosphinic acid
SMILESCCCNCP(C)(=O)O
InChIInChI=1S/C5H14NO2P/c1-3-4-6-5-9(2,7)8/h6H,3-5H2,1-2H3,(H,7,8)
InChIKeyNBVVFUAHDNHTPS-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.15
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(propylaminomethyl)phosphinic acid?
The IUPAC name of methyl(propylaminomethyl)phosphinic acid (CID 13171111) is methyl(propylaminomethyl)phosphinic acid.
What is the SMILES notation for methyl(propylaminomethyl)phosphinic acid?
The canonical SMILES for methyl(propylaminomethyl)phosphinic acid is CCCNCP(C)(=O)O.
What is the InChIKey of methyl(propylaminomethyl)phosphinic acid?
The InChIKey is NBVVFUAHDNHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO2P/c1-3-4-6-5-9(2,7)8/h6H,3-5H2,1-2H3,(H,7,8).
What are the key properties of methyl(propylaminomethyl)phosphinic acid?
methyl(propylaminomethyl)phosphinic acid has a molecular weight of 151.15 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(propylaminomethyl)phosphinic acid is sourced from PubChem (CID 13171111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).