disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate

C11H11NNa2O5 — CID 56841840

IUPACdisodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])Cc1ccccc1O.[Na+].[Na+]
InChIInChI=1S/C11H13NO5.2Na/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17;;/h1-4,13H,5-7H2,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyRNVZAFDZRKNRMS-UHFFFAOYSA-L
MW283.19 g/mol
LogP-8.30
Rot. Bonds6

About disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate

disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate (PubChem CID 56841840) has the molecular formula C11H11NNa2O5 and a molecular weight of 283.19 g/mol. Its IUPAC name is disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namedisodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate
PubChem CID56841840
Molecular FormulaC11H11NNa2O5
Molecular Weight283.19 g/mol
Exact Mass283.04
IUPAC Namedisodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])Cc1ccccc1O.[Na+].[Na+]
InChIInChI=1S/C11H13NO5.2Na/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17;;/h1-4,13H,5-7H2,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyRNVZAFDZRKNRMS-UHFFFAOYSA-L
XLogP-8.30
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 5-8.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate?
The IUPAC name of disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate (CID 56841840) is disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate.
What is the SMILES notation for disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate?
The canonical SMILES for disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate is O=C([O-])CN(CC(=O)[O-])Cc1ccccc1O.[Na+].[Na+].
What is the InChIKey of disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate?
The InChIKey is RNVZAFDZRKNRMS-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H13NO5.2Na/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17;;/h1-4,13H,5-7H2,(H,14,15)(H,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate?
disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate has a molecular weight of 283.19 g/mol, XLogP of -8.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[carboxylatomethyl-[(2-hydroxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 56841840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).