3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid

C8H17N2O3P — CID 59371800

IUPAC3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid
SMILESCNC(CP(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C8H17N2O3P/c1-9-6(7(11)12)5-14(4)8(13)10(2)3/h6,9H,5H2,1-4H3,(H,11,12)
InChIKeyZEMPMGGLTHBXQS-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.45
Rot. Bonds5

About 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid

3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid (PubChem CID 59371800) has the molecular formula C8H17N2O3P and a molecular weight of 220.21 g/mol. Its IUPAC name is 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid
PubChem CID59371800
Molecular FormulaC8H17N2O3P
Molecular Weight220.21 g/mol
Exact Mass220.10
IUPAC Name3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid
SMILESCNC(CP(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C8H17N2O3P/c1-9-6(7(11)12)5-14(4)8(13)10(2)3/h6,9H,5H2,1-4H3,(H,11,12)
InChIKeyZEMPMGGLTHBXQS-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.45
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 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid?
The IUPAC name of 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid (CID 59371800) is 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid?
The canonical SMILES for 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid is CNC(CP(C)C(=O)N(C)C)C(=O)O.
What is the InChIKey of 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid?
The InChIKey is ZEMPMGGLTHBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O3P/c1-9-6(7(11)12)5-14(4)8(13)10(2)3/h6,9H,5H2,1-4H3,(H,11,12).
What are the key properties of 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid?
3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid has a molecular weight of 220.21 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid is sourced from PubChem (CID 59371800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).