azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate

C4H11N2O4P — CID 141414577

IUPACazanium 2-[[carboxy(phosphanyl)methyl]amino]acetate
SMILESO=C([O-])CNC(P)C(=O)O.[NH4+]
InChIInChI=1S/C4H8NO4P.H3N/c6-2(7)1-5-3(10)4(8)9;/h3,5H,1,10H2,(H,6,7)(H,8,9);1H3
InChIKeyBTWQJFGWNIXSDG-UHFFFAOYSA-N
MW182.12 g/mol
LogP-2.01
Rot. Bonds4

About azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate

azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate (PubChem CID 141414577) has the molecular formula C4H11N2O4P and a molecular weight of 182.12 g/mol. Its IUPAC name is azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate.

Molecular Properties

Compound Nameazanium 2-[[carboxy(phosphanyl)methyl]amino]acetate
PubChem CID141414577
Molecular FormulaC4H11N2O4P
Molecular Weight182.12 g/mol
Exact Mass182.05
IUPAC Nameazanium 2-[[carboxy(phosphanyl)methyl]amino]acetate
SMILESO=C([O-])CNC(P)C(=O)O.[NH4+]
InChIInChI=1S/C4H8NO4P.H3N/c6-2(7)1-5-3(10)4(8)9;/h3,5H,1,10H2,(H,6,7)(H,8,9);1H3
InChIKeyBTWQJFGWNIXSDG-UHFFFAOYSA-N
XLogP-2.01
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99
CID 76964784
tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
sodium 2-(carboxyamino)acetate
CID 58758121
azanium;iron(3+);bis(propanedioate)
CID 160868163
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
azanium 3-chloro-4-hydroxy-4-oxobutanoate
CID 88769059
disodium;acetic acid;2-(methylamino)acetate;acetate
CID 173189557
bis(2-anilinoacetate);cadmium(2+)
CID 88771971
dipotassium bis(2-(methylamino)acetate)
CID 139682425
pentaazanium;hydrogen carbonate
CID 159428979
2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid
CID 20767733

Frequently Asked Questions

What is the IUPAC name of azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate?
The IUPAC name of azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate (CID 141414577) is azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate.
What is the SMILES notation for azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate?
The canonical SMILES for azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate is O=C([O-])CNC(P)C(=O)O.[NH4+].
What is the InChIKey of azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate?
The InChIKey is BTWQJFGWNIXSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO4P.H3N/c6-2(7)1-5-3(10)4(8)9;/h3,5H,1,10H2,(H,6,7)(H,8,9);1H3.
What are the key properties of azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate?
azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate has a molecular weight of 182.12 g/mol, XLogP of -2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate is sourced from PubChem (CID 141414577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).