sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate

C9H8NNaO3 — CID 135760717

IUPACsodium 2-[(2-hydroxyphenyl)methylideneamino]acetate
SMILESO=C([O-])C/N=C/c1ccccc1O.[Na+]
InChIInChI=1S/C9H9NO3.Na/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;/h1-5,11H,6H2,(H,12,13);/q;+1/p-1/b10-5+;
InChIKeyIUXRXTKLNRJJEZ-OAZHBLANSA-M
MW201.16 g/mol
LogP-3.43
Rot. Bonds3

About sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate

sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate (PubChem CID 135760717) has the molecular formula C9H8NNaO3 and a molecular weight of 201.16 g/mol. Its IUPAC name is sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate.

Molecular Properties

Compound Namesodium 2-[(2-hydroxyphenyl)methylideneamino]acetate
PubChem CID135760717
Molecular FormulaC9H8NNaO3
Molecular Weight201.16 g/mol
Exact Mass201.04
IUPAC Namesodium 2-[(2-hydroxyphenyl)methylideneamino]acetate
SMILESO=C([O-])C/N=C/c1ccccc1O.[Na+]
InChIInChI=1S/C9H9NO3.Na/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;/h1-5,11H,6H2,(H,12,13);/q;+1/p-1/b10-5+;
InChIKeyIUXRXTKLNRJJEZ-OAZHBLANSA-M
XLogP-3.43
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-3.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze sodium 2-[(2-hydroxyphenyl)methylideneamino]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

bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide
CID 4316615
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
2-[(5-bromo-2-oxidophenyl)methylideneamino]acetate;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tris(oxygen(2-));bis(vanadium)
CID 139127946
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-amino-N,N-dimethylacetamide;benzene-1,2-diol;2-[(2-hydroxyphenyl)methylideneamino]-N,N-dimethylacetamide
CID 163640259

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate?
The IUPAC name of sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate (CID 135760717) is sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate.
What is the SMILES notation for sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate?
The canonical SMILES for sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate is O=C([O-])C/N=C/c1ccccc1O.[Na+].
What is the InChIKey of sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate?
The InChIKey is IUXRXTKLNRJJEZ-OAZHBLANSA-M. The full InChI is InChI=1S/C9H9NO3.Na/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;/h1-5,11H,6H2,(H,12,13);/q;+1/p-1/b10-5+;.
What are the key properties of sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate?
sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate has a molecular weight of 201.16 g/mol, XLogP of -3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate is sourced from PubChem (CID 135760717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).