2-[[methoxy(methyl)phosphoryl]amino]propanoic acid

C5H12NO4P — CID 123444426

IUPAC2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
SMILESCOP(C)(=O)NC(C)C(=O)O
InChIInChI=1S/C5H12NO4P/c1-4(5(7)8)6-11(3,9)10-2/h4H,1-3H3,(H,6,9)(H,7,8)
InChIKeySKJNDGPETOJQTM-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.52
Rot. Bonds4

About 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid

2-[[methoxy(methyl)phosphoryl]amino]propanoic acid (PubChem CID 123444426) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
PubChem CID123444426
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
SMILESCOP(C)(=O)NC(C)C(=O)O
InChIInChI=1S/C5H12NO4P/c1-4(5(7)8)6-11(3,9)10-2/h4H,1-3H3,(H,6,9)(H,7,8)
InChIKeySKJNDGPETOJQTM-UHFFFAOYSA-N
XLogP0.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid?
The IUPAC name of 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid (CID 123444426) is 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid.
What is the SMILES notation for 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid?
The canonical SMILES for 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid is COP(C)(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid?
The InChIKey is SKJNDGPETOJQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-4(5(7)8)6-11(3,9)10-2/h4H,1-3H3,(H,6,9)(H,7,8).
What are the key properties of 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid?
2-[[methoxy(methyl)phosphoryl]amino]propanoic acid has a molecular weight of 181.13 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methoxy(methyl)phosphoryl]amino]propanoic acid is sourced from PubChem (CID 123444426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).