ethyl-[2-(methylazaniumyl)ethyl]phosphinate

C5H14NO2P — CID 22947964

IUPACethyl-[2-(methylazaniumyl)ethyl]phosphinate
SMILESCCP(=O)([O-])CC[NH2+]C
InChIInChI=1S/C5H14NO2P/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3,(H,7,8)
InChIKeySITOVSJSMQJLRU-UHFFFAOYSA-N
MW151.15 g/mol
LogP-1.16
Rot. Bonds4

About ethyl-[2-(methylazaniumyl)ethyl]phosphinate

ethyl-[2-(methylazaniumyl)ethyl]phosphinate (PubChem CID 22947964) has the molecular formula C5H14NO2P and a molecular weight of 151.15 g/mol. Its IUPAC name is ethyl-[2-(methylazaniumyl)ethyl]phosphinate.

Molecular Properties

Compound Nameethyl-[2-(methylazaniumyl)ethyl]phosphinate
PubChem CID22947964
Molecular FormulaC5H14NO2P
Molecular Weight151.15 g/mol
Exact Mass151.08
IUPAC Nameethyl-[2-(methylazaniumyl)ethyl]phosphinate
SMILESCCP(=O)([O-])CC[NH2+]C
InChIInChI=1S/C5H14NO2P/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3,(H,7,8)
InChIKeySITOVSJSMQJLRU-UHFFFAOYSA-N
XLogP-1.16
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Dimethylaminoethyl)phosphonate
CID 172407795
2-(Methylaminoethyl)phosphonate
CID 12557407
Aminomethyl(propylaminomethyl)phosphinic acid
CID 118735644
(3-(Methylamino)propyl)phosphonic acid
CID 12557429
3-Aminopropyl-methyl-phosphinate
CID 28559746
[2-(Methylamino)ethyl]phosphonic acid
CID 281241
Ethylaminodimethylenephosphonic acid
CID 12557409
Ethylaminomethylphosphonic acid
CID 3297045
1-(Methylamino)ethylphosphonic acid
CID 12596020
1-(Propylamino)ethylphosphonic acid
CID 12596023
bis(N-ethylaminoethyl)phosphinic acid
CID 175647242
Ethylaminomethyl(methyl)phosphinic acid
CID 4491462

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(methylazaniumyl)ethyl]phosphinate?
The IUPAC name of ethyl-[2-(methylazaniumyl)ethyl]phosphinate (CID 22947964) is ethyl-[2-(methylazaniumyl)ethyl]phosphinate.
What is the SMILES notation for ethyl-[2-(methylazaniumyl)ethyl]phosphinate?
The canonical SMILES for ethyl-[2-(methylazaniumyl)ethyl]phosphinate is CCP(=O)([O-])CC[NH2+]C.
What is the InChIKey of ethyl-[2-(methylazaniumyl)ethyl]phosphinate?
The InChIKey is SITOVSJSMQJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO2P/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3,(H,7,8).
What are the key properties of ethyl-[2-(methylazaniumyl)ethyl]phosphinate?
ethyl-[2-(methylazaniumyl)ethyl]phosphinate has a molecular weight of 151.15 g/mol, XLogP of -1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(methylazaniumyl)ethyl]phosphinate is sourced from PubChem (CID 22947964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).