methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid

C8H19N2O3P — CID 58005086

IUPACmethyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid
SMILESCCC(=O)N(CCNC)CP(C)(=O)O
InChIInChI=1S/C8H19N2O3P/c1-4-8(11)10(6-5-9-2)7-14(3,12)13/h9H,4-7H2,1-3H3,(H,12,13)
InChIKeyJCIRQNQCDQWAIY-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.30
Rot. Bonds6

About methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid

methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid (PubChem CID 58005086) has the molecular formula C8H19N2O3P and a molecular weight of 222.22 g/mol. Its IUPAC name is methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid
PubChem CID58005086
Molecular FormulaC8H19N2O3P
Molecular Weight222.22 g/mol
Exact Mass222.11
IUPAC Namemethyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid
SMILESCCC(=O)N(CCNC)CP(C)(=O)O
InChIInChI=1S/C8H19N2O3P/c1-4-8(11)10(6-5-9-2)7-14(3,12)13/h9H,4-7H2,1-3H3,(H,12,13)
InChIKeyJCIRQNQCDQWAIY-UHFFFAOYSA-N
XLogP0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 169065890
2-amino-N-ethyl-N-[2-(methylamino)ethyl]acetamide
CID 145342437
N-(2-methoxyethyl)-N-[2-(methylamino)ethyl]butanamide
CID 143241148
N,N-bis(acetamidomethyl)propanamide
CID 59001687
N,N-bis[(ethenylamino)methyl]propanamide
CID 58852926
methyl(propyl)phosphinic acid
CID 10992780
2-(ethylamino)ethylphosphonic acid
CID 12557409
N'-ethyl-N-methyl-N'-(2-methylpent-2-en-3-yl)ethane-1,2-diamine
CID 143446025
N-(2-acetamidoethyl)-N-butylpropanamide
CID 170264353
CID 142046589
CID 142046589
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)acetamide
CID 118974935

Frequently Asked Questions

What is the IUPAC name of methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid?
The IUPAC name of methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid (CID 58005086) is methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid.
What is the SMILES notation for methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid?
The canonical SMILES for methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid is CCC(=O)N(CCNC)CP(C)(=O)O.
What is the InChIKey of methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid?
The InChIKey is JCIRQNQCDQWAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O3P/c1-4-8(11)10(6-5-9-2)7-14(3,12)13/h9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid?
methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid has a molecular weight of 222.22 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[2-(methylamino)ethyl-propanoylamino]methyl]phosphinic acid is sourced from PubChem (CID 58005086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).