2-(phosphonomethylamino)butanoic acid;yttrium

C5H11NO5PY- — CID 58862506

IUPAC2-(phosphonomethylamino)butanoic acid;yttrium
SMILESC[CH-]C(NCP(=O)(O)O)C(=O)O.[Y]
InChIInChI=1S/C5H11NO5P.Y/c1-2-4(5(7)8)6-3-12(9,10)11;/h2,4,6H,3H2,1H3,(H,7,8)(H2,9,10,11);/q-1;
InChIKeyXQPHNBVKAHHOCD-UHFFFAOYSA-N
MW285.03 g/mol
LogP-0.61
Rot. Bonds5

About 2-(phosphonomethylamino)butanoic acid;yttrium

2-(phosphonomethylamino)butanoic acid;yttrium (PubChem CID 58862506) has the molecular formula C5H11NO5PY- and a molecular weight of 285.03 g/mol. Its IUPAC name is 2-(phosphonomethylamino)butanoic acid;yttrium.

Molecular Properties

Compound Name2-(phosphonomethylamino)butanoic acid;yttrium
PubChem CID58862506
Molecular FormulaC5H11NO5PY-
Molecular Weight285.03 g/mol
Exact Mass284.94
IUPAC Name2-(phosphonomethylamino)butanoic acid;yttrium
SMILESC[CH-]C(NCP(=O)(O)O)C(=O)O.[Y]
InChIInChI=1S/C5H11NO5P.Y/c1-2-4(5(7)8)6-3-12(9,10)11;/h2,4,6H,3H2,1H3,(H,7,8)(H2,9,10,11);/q-1;
InChIKeyXQPHNBVKAHHOCD-UHFFFAOYSA-N
XLogP-0.61
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772
(2S)-3-ethoxy-2-(phosphonomethylamino)propanoic acid
CID 90871035
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]methylphosphonic acid
CID 174568005
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
2-ethyl-6-phosphonooctanoic acid
CID 89335003
2-(phosphonomethylamino)-3-sulfanylpropanoic acid;sulfuric acid
CID 87618119
(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid
CID 87434750
(2S)-6-(carbamoylamino)-2-(phosphonomethylamino)hexanoic acid
CID 25153969
acetamidomethylphosphonic acid
CID 3017080
[[1,4-diphosphono-4-(phosphonomethylamino)butyl]amino]methylphosphonic acid
CID 118864879
2-phosphonodecanoic acid
CID 5092142

Frequently Asked Questions

What is the IUPAC name of 2-(phosphonomethylamino)butanoic acid;yttrium?
The IUPAC name of 2-(phosphonomethylamino)butanoic acid;yttrium (CID 58862506) is 2-(phosphonomethylamino)butanoic acid;yttrium.
What is the SMILES notation for 2-(phosphonomethylamino)butanoic acid;yttrium?
The canonical SMILES for 2-(phosphonomethylamino)butanoic acid;yttrium is C[CH-]C(NCP(=O)(O)O)C(=O)O.[Y].
What is the InChIKey of 2-(phosphonomethylamino)butanoic acid;yttrium?
The InChIKey is XQPHNBVKAHHOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5P.Y/c1-2-4(5(7)8)6-3-12(9,10)11;/h2,4,6H,3H2,1H3,(H,7,8)(H2,9,10,11);/q-1;.
What are the key properties of 2-(phosphonomethylamino)butanoic acid;yttrium?
2-(phosphonomethylamino)butanoic acid;yttrium has a molecular weight of 285.03 g/mol, XLogP of -0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphonomethylamino)butanoic acid;yttrium is sourced from PubChem (CID 58862506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).