calcium;hydride;2-(phosphonomethylamino)acetic acid

C3H10CaNO5P — CID 173098148

IUPACcalcium;hydride;2-(phosphonomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H8NO5P.Ca.2H/c5-3(6)1-4-2-10(7,8)9;;;/h4H,1-2H2,(H,5,6)(H2,7,8,9);;;/q;+2;2*-1
InChIKeyVXAJVZVXTYVLKA-UHFFFAOYSA-N
MW211.17 g/mol
LogP-1.36
Rot. Bonds4

About calcium;hydride;2-(phosphonomethylamino)acetic acid

calcium;hydride;2-(phosphonomethylamino)acetic acid (PubChem CID 173098148) has the molecular formula C3H10CaNO5P and a molecular weight of 211.17 g/mol. Its IUPAC name is calcium;hydride;2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Namecalcium;hydride;2-(phosphonomethylamino)acetic acid
PubChem CID173098148
Molecular FormulaC3H10CaNO5P
Molecular Weight211.17 g/mol
Exact Mass210.99
IUPAC Namecalcium;hydride;2-(phosphonomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H8NO5P.Ca.2H/c5-3(6)1-4-2-10(7,8)9;;;/h4H,1-2H2,(H,5,6)(H2,7,8,9);;;/q;+2;2*-1
InChIKeyVXAJVZVXTYVLKA-UHFFFAOYSA-N
XLogP-1.36
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
azane;2-(phosphonomethylamino)acetic acid
CID 11615303
2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
CID 88798173
calcium bis(2-(phosphonomethylamino)acetate)
CID 139601008
2-chloroethyl(trimethyl)azanium;2-(phosphonomethylamino)acetic acid
CID 87279763
sodium (carboxymethylamino)methyl-hydroxyphosphinate
CID 23677848
2-(phosphonomethylamino)acetic acid;(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 67908754
(hydroxymethylamino)methylphosphonic acid
CID 20673096
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
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 calcium;hydride;2-(phosphonomethylamino)acetic acid?
The IUPAC name of calcium;hydride;2-(phosphonomethylamino)acetic acid (CID 173098148) is calcium;hydride;2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for calcium;hydride;2-(phosphonomethylamino)acetic acid?
The canonical SMILES for calcium;hydride;2-(phosphonomethylamino)acetic acid is O=C(O)CNCP(=O)(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-(phosphonomethylamino)acetic acid?
The InChIKey is VXAJVZVXTYVLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.Ca.2H/c5-3(6)1-4-2-10(7,8)9;;;/h4H,1-2H2,(H,5,6)(H2,7,8,9);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-(phosphonomethylamino)acetic acid?
calcium;hydride;2-(phosphonomethylamino)acetic acid has a molecular weight of 211.17 g/mol, XLogP of -1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 173098148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).