methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid

C6H17N2O3P — CID 162005282

IUPACmethane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid
SMILESC.CNCCNC(=O)P(C)(=O)O
InChIInChI=1S/C5H13N2O3P.CH4/c1-6-3-4-7-5(8)11(2,9)10;/h6H,3-4H2,1-2H3,(H,7,8)(H,9,10);1H4
InChIKeyYSTDQNLFAQWGOB-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.45
Rot. Bonds4

About methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid

methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid (PubChem CID 162005282) has the molecular formula C6H17N2O3P and a molecular weight of 196.19 g/mol. Its IUPAC name is methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid.

Molecular Properties

Compound Namemethane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid
PubChem CID162005282
Molecular FormulaC6H17N2O3P
Molecular Weight196.19 g/mol
Exact Mass196.10
IUPAC Namemethane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid
SMILESC.CNCCNC(=O)P(C)(=O)O
InChIInChI=1S/C5H13N2O3P.CH4/c1-6-3-4-7-5(8)11(2,9)10;/h6H,3-4H2,1-2H3,(H,7,8)(H,9,10);1H4
InChIKeyYSTDQNLFAQWGOB-UHFFFAOYSA-N
XLogP0.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid?
The IUPAC name of methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid (CID 162005282) is methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid.
What is the SMILES notation for methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid?
The canonical SMILES for methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid is C.CNCCNC(=O)P(C)(=O)O.
What is the InChIKey of methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid?
The InChIKey is YSTDQNLFAQWGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2O3P.CH4/c1-6-3-4-7-5(8)11(2,9)10;/h6H,3-4H2,1-2H3,(H,7,8)(H,9,10);1H4.
What are the key properties of methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid?
methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid has a molecular weight of 196.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl-[2-(methylamino)ethylcarbamoyl]phosphinic acid is sourced from PubChem (CID 162005282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).