sodium (carboxymethylamino)methyl-hydroxyphosphinate

C3H7NNaO5P — CID 23677848

IUPACsodium (carboxymethylamino)methyl-hydroxyphosphinate
SMILESO=C(O)CNCP(=O)([O-])O.[Na+]
InChIInChI=1S/C3H8NO5P.Na/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1
InChIKeyYWICANUUQPYHOW-UHFFFAOYSA-M
MW191.05 g/mol
LogP-4.83
Rot. Bonds4

About sodium (carboxymethylamino)methyl-hydroxyphosphinate

sodium (carboxymethylamino)methyl-hydroxyphosphinate (PubChem CID 23677848) has the molecular formula C3H7NNaO5P and a molecular weight of 191.05 g/mol. Its IUPAC name is sodium (carboxymethylamino)methyl-hydroxyphosphinate.

Molecular Properties

Compound Namesodium (carboxymethylamino)methyl-hydroxyphosphinate
PubChem CID23677848
Molecular FormulaC3H7NNaO5P
Molecular Weight191.05 g/mol
Exact Mass191.00
IUPAC Namesodium (carboxymethylamino)methyl-hydroxyphosphinate
SMILESO=C(O)CNCP(=O)([O-])O.[Na+]
InChIInChI=1S/C3H8NO5P.Na/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1
InChIKeyYWICANUUQPYHOW-UHFFFAOYSA-M
XLogP-4.83
TPSA109.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.05
LogP ≤ 5-4.83
H-Bond Donors ≤ 53
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
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-(carboxymethylamino)acetic acid
CID 8897
disodium;butanedioic acid;hydrogen phosphate;phosphoric acid
CID 160584781
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
CID 87825468
sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate
CID 134096910
2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
CID 88798173

Frequently Asked Questions

What is the IUPAC name of sodium (carboxymethylamino)methyl-hydroxyphosphinate?
The IUPAC name of sodium (carboxymethylamino)methyl-hydroxyphosphinate (CID 23677848) is sodium (carboxymethylamino)methyl-hydroxyphosphinate.
What is the SMILES notation for sodium (carboxymethylamino)methyl-hydroxyphosphinate?
The canonical SMILES for sodium (carboxymethylamino)methyl-hydroxyphosphinate is O=C(O)CNCP(=O)([O-])O.[Na+].
What is the InChIKey of sodium (carboxymethylamino)methyl-hydroxyphosphinate?
The InChIKey is YWICANUUQPYHOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8NO5P.Na/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1.
What are the key properties of sodium (carboxymethylamino)methyl-hydroxyphosphinate?
sodium (carboxymethylamino)methyl-hydroxyphosphinate has a molecular weight of 191.05 g/mol, XLogP of -4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (carboxymethylamino)methyl-hydroxyphosphinate is sourced from PubChem (CID 23677848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).