(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten

C5H12NO5PW2 — CID 170514941

IUPAC(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten
SMILESCCOP(=O)(O)N[C@H](C)C(=O)O.[W].[W]
InChIInChI=1S/C5H12NO5P.2W/c1-3-11-12(9,10)6-4(2)5(7)8;;/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10);;/t4-;;/m1../s1
InChIKeyOEYIAUFDOXXYTK-RZFWHQLPSA-N
MW564.81 g/mol
LogP0.18
Rot. Bonds5

About (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten

(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten (PubChem CID 170514941) has the molecular formula C5H12NO5PW2 and a molecular weight of 564.81 g/mol. Its IUPAC name is (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten.

Molecular Properties

Compound Name(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten
PubChem CID170514941
Molecular FormulaC5H12NO5PW2
Molecular Weight564.81 g/mol
Exact Mass564.95
IUPAC Name(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten
SMILESCCOP(=O)(O)N[C@H](C)C(=O)O.[W].[W]
InChIInChI=1S/C5H12NO5P.2W/c1-3-11-12(9,10)6-4(2)5(7)8;;/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10);;/t4-;;/m1../s1
InChIKeyOEYIAUFDOXXYTK-RZFWHQLPSA-N
XLogP0.18
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.81
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid
CID 159867621
(2S)-2-(dibutoxyphosphorylamino)propanoic acid
CID 71351909
(2S,3S)-2-(diethoxyphosphorylamino)-3-methylpentanoic acid
CID 119083769
ethoxy-N-methylphosphonamidic acid
CID 20842965
2-[ethoxy(methyl)phosphoryl]propanoic acid
CID 87306109
2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
CID 123444426
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
(E)-but-2-enedioic acid;ethyl (2S)-2-[[2-aminoethylsulfanyl(ethoxy)phosphoryl]amino]propanoate
CID 175908952
4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid
CID 143708484
butoxy-N-propan-2-ylphosphonamidic acid
CID 146414796
(2S)-2-[[ethoxy(phenyl)phosphoryl]amino]-3-methylbutanoic acid
CID 71426419
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten?
The IUPAC name of (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten (CID 170514941) is (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten.
What is the SMILES notation for (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten?
The canonical SMILES for (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten is CCOP(=O)(O)N[C@H](C)C(=O)O.[W].[W].
What is the InChIKey of (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten?
The InChIKey is OEYIAUFDOXXYTK-RZFWHQLPSA-N. The full InChI is InChI=1S/C5H12NO5P.2W/c1-3-11-12(9,10)6-4(2)5(7)8;;/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10);;/t4-;;/m1../s1.
What are the key properties of (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten?
(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten has a molecular weight of 564.81 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten is sourced from PubChem (CID 170514941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).