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'}

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

3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430
2-[[2-(carboxymethoxy)-2-oxoethyl]-methylamino]acetic acid
CID 10307945
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442431

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).