2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)

C5H13NO10P2+2 — CID 88765663

IUPAC2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
SMILESCN(CC(=O)O)CC(=O)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C5H9NO4.2HO3P/c1-6(2-4(7)8)3-5(9)10;2*1-4(2)3/h2-3H2,1H3,(H,7,8)(H,9,10);2*(H-,1,2,3)/p+2
InChIKeyNNRYQARIJJFSIF-UHFFFAOYSA-P
MW309.10 g/mol
LogP-1.66
Rot. Bonds4

About 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)

2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium) (PubChem CID 88765663) has the molecular formula C5H13NO10P2+2 and a molecular weight of 309.10 g/mol. Its IUPAC name is 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium).

Molecular Properties

Compound Name2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
PubChem CID88765663
Molecular FormulaC5H13NO10P2+2
Molecular Weight309.10 g/mol
Exact Mass309.00
IUPAC Name2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
SMILESCN(CC(=O)O)CC(=O)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C5H9NO4.2HO3P/c1-6(2-4(7)8)3-5(9)10;2*1-4(2)3/h2-3H2,1H3,(H,7,8)(H,9,10);2*(H-,1,2,3)/p+2
InChIKeyNNRYQARIJJFSIF-UHFFFAOYSA-P
XLogP-1.66
TPSA192.90 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.10
LogP ≤ 5-1.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Glyphosine
CID 17112
N-(Carboxymethyl)-N-(phosphonomethyl)glycine
CID 80092
N-methyl-N-(phosphonomethyl)glycine
CID 541499
analog 3 [Vlattas et al., 1996]
CID 44306132
2-[Methyl(phosphono)amino]acetic acid
CID 13042003
Phosphonomethyl iminodiacetic acid hydrate
CID 16213205
Glycine, N-(carboxymethyl)-N-(1,1-diphosphonoethyl)-
CID 108696
Potassium N-(carboxymethyl)-N-(1,1-diphosphonoethyl)glycinate
CID 44148908
N-phosphonoiminodiacetic acid
CID 23045816
N-(2-phosphonoethyl)iminodiacetic acid
CID 23422754
[Carboxy(phosphono)methyl]-trimethylazanium
CID 54351717
Phosphobetaine
CID 87278933

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)?
The IUPAC name of 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium) (CID 88765663) is 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium).
What is the SMILES notation for 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)?
The canonical SMILES for 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium) is CN(CC(=O)O)CC(=O)O.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)?
The InChIKey is NNRYQARIJJFSIF-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H9NO4.2HO3P/c1-6(2-4(7)8)3-5(9)10;2*1-4(2)3/h2-3H2,1H3,(H,7,8)(H,9,10);2*(H-,1,2,3)/p+2.
What are the key properties of 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)?
2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium) has a molecular weight of 309.10 g/mol, XLogP of -1.66, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium) is sourced from PubChem (CID 88765663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).