[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid

C4H10N2O6P+ — CID 139053959

IUPAC[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid
SMILESO=[P+]([O-])O.[NH3+]CC(=O)NCC(=O)O
InChIInChI=1S/C4H8N2O3.HO3P/c5-1-3(7)6-2-4(8)9;1-4(2)3/h1-2,5H2,(H,6,7)(H,8,9);(H,1,2,3)/p+1
InChIKeyZPYPXHQNCGHPID-UHFFFAOYSA-O
MW213.11 g/mol
LogP-3.57
Rot. Bonds3

About [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid

[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid (PubChem CID 139053959) has the molecular formula C4H10N2O6P+ and a molecular weight of 213.11 g/mol. Its IUPAC name is [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid.

Molecular Properties

Compound Name[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid
PubChem CID139053959
Molecular FormulaC4H10N2O6P+
Molecular Weight213.11 g/mol
Exact Mass213.03
IUPAC Name[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid
SMILESO=[P+]([O-])O.[NH3+]CC(=O)NCC(=O)O
InChIInChI=1S/C4H8N2O3.HO3P/c5-1-3(7)6-2-4(8)9;1-4(2)3/h1-2,5H2,(H,6,7)(H,8,9);(H,1,2,3)/p+1
InChIKeyZPYPXHQNCGHPID-UHFFFAOYSA-O
XLogP-3.57
TPSA154.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 5-3.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glycylglycine
CID 11163
Glycylglycylglycine
CID 11161
Glycylglycylglycine zwitterion
CID 6994044
Glycyl-glycyl-glycyl-glycine
CID 69481
N-Acetylglycylglycine
CID 97591
Glycine, glycylglycyl-N-methyl-
CID 333408
Glycylglycine Hydrochloride
CID 83095
Sar-Gly-OH
CID 7021859
N-Acetyltriglycine
CID 14252395
(2S)-2-[[(2S)-2-(phosphonoamino)propanoyl]amino]propanoic acid
CID 22819190
Glycylglycine hydrochloride monohydrate
CID 16219386
Glycine, N-(N-(3-amino-3,3-diphosphonopropyl)glycyl)-, dihydrate
CID 50513

Frequently Asked Questions

What is the IUPAC name of [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid?
The IUPAC name of [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid (CID 139053959) is [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid.
What is the SMILES notation for [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid?
The canonical SMILES for [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid is O=[P+]([O-])O.[NH3+]CC(=O)NCC(=O)O.
What is the InChIKey of [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid?
The InChIKey is ZPYPXHQNCGHPID-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8N2O3.HO3P/c5-1-3(7)6-2-4(8)9;1-4(2)3/h1-2,5H2,(H,6,7)(H,8,9);(H,1,2,3)/p+1.
What are the key properties of [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid?
[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid has a molecular weight of 213.11 g/mol, XLogP of -3.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid is sourced from PubChem (CID 139053959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).