1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid

C7H16NO4P — CID 19880149

IUPAC1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid
SMILESCOC(=O)C(C)CP(=O)(O)C(C)N
InChIInChI=1S/C7H16NO4P/c1-5(7(9)12-3)4-13(10,11)6(2)8/h5-6H,4,8H2,1-3H3,(H,10,11)
InChIKeyVBMXADKPUWIWAU-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.37
Rot. Bonds4

About 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid

1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid (PubChem CID 19880149) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid.

Molecular Properties

Compound Name1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid
PubChem CID19880149
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid
SMILESCOC(=O)C(C)CP(=O)(O)C(C)N
InChIInChI=1S/C7H16NO4P/c1-5(7(9)12-3)4-13(10,11)6(2)8/h5-6H,4,8H2,1-3H3,(H,10,11)
InChIKeyVBMXADKPUWIWAU-UHFFFAOYSA-N
XLogP0.37
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid?
The IUPAC name of 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid (CID 19880149) is 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid.
What is the SMILES notation for 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid?
The canonical SMILES for 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid is COC(=O)C(C)CP(=O)(O)C(C)N.
What is the InChIKey of 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid?
The InChIKey is VBMXADKPUWIWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-5(7(9)12-3)4-13(10,11)6(2)8/h5-6H,4,8H2,1-3H3,(H,10,11).
What are the key properties of 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid?
1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid has a molecular weight of 209.18 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid is sourced from PubChem (CID 19880149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).