potassium;azane;hydride;2-(phosphonomethylamino)acetic acid

C3H12KN2O5P — CID 173095568

IUPACpotassium;azane;hydride;2-(phosphonomethylamino)acetic acid
SMILESN.O=C(O)CNCP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C3H8NO5P.K.H3N.H/c5-3(6)1-4-2-10(7,8)9;;;/h4H,1-2H2,(H,5,6)(H2,7,8,9);;1H3;/q;+1;;-1
InChIKeyXESPZOKKDFLUMK-UHFFFAOYSA-N
MW226.21 g/mol
LogP-3.93
Rot. Bonds4

About potassium;azane;hydride;2-(phosphonomethylamino)acetic acid

potassium;azane;hydride;2-(phosphonomethylamino)acetic acid (PubChem CID 173095568) has the molecular formula C3H12KN2O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is potassium;azane;hydride;2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Namepotassium;azane;hydride;2-(phosphonomethylamino)acetic acid
PubChem CID173095568
Molecular FormulaC3H12KN2O5P
Molecular Weight226.21 g/mol
Exact Mass226.01
IUPAC Namepotassium;azane;hydride;2-(phosphonomethylamino)acetic acid
SMILESN.O=C(O)CNCP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C3H8NO5P.K.H3N.H/c5-3(6)1-4-2-10(7,8)9;;;/h4H,1-2H2,(H,5,6)(H2,7,8,9);;1H3;/q;+1;;-1
InChIKeyXESPZOKKDFLUMK-UHFFFAOYSA-N
XLogP-3.93
TPSA141.86 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-3.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;2-(phosphonomethylamino)acetic acid
CID 11615303
calcium;hydride;2-(phosphonomethylamino)acetic acid
CID 173098148
2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
CID 88798173
2-chloroethyl(trimethyl)azanium;2-(phosphonomethylamino)acetic acid
CID 87279763
sodium (carboxymethylamino)methyl-hydroxyphosphinate
CID 23677848
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
calcium bis(2-(phosphonomethylamino)acetate)
CID 139601008
2-(phosphonomethylamino)acetic acid;(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 67908754
(hydroxymethylamino)methylphosphonic acid
CID 20673096
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
CID 87825468
2-(carboxymethylamino)acetic acid
CID 8897

Frequently Asked Questions

What is the IUPAC name of potassium;azane;hydride;2-(phosphonomethylamino)acetic acid?
The IUPAC name of potassium;azane;hydride;2-(phosphonomethylamino)acetic acid (CID 173095568) is potassium;azane;hydride;2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for potassium;azane;hydride;2-(phosphonomethylamino)acetic acid?
The canonical SMILES for potassium;azane;hydride;2-(phosphonomethylamino)acetic acid is N.O=C(O)CNCP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;azane;hydride;2-(phosphonomethylamino)acetic acid?
The InChIKey is XESPZOKKDFLUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.K.H3N.H/c5-3(6)1-4-2-10(7,8)9;;;/h4H,1-2H2,(H,5,6)(H2,7,8,9);;1H3;/q;+1;;-1.
What are the key properties of potassium;azane;hydride;2-(phosphonomethylamino)acetic acid?
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid has a molecular weight of 226.21 g/mol, XLogP of -3.93, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azane;hydride;2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 173095568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).