sodium 2-benzamidoacetate

C9H8NNaO3 — CID 516953

IUPACsodium 2-benzamidoacetate
SMILESO=C([O-])CNC(=O)c1ccccc1.[Na+]
InChIInChI=1S/C9H9NO3.Na/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1
InChIKeyZBCAZEFVTIBZJS-UHFFFAOYSA-M
MW201.16 g/mol
LogP-3.83
Rot. Bonds3

About sodium 2-benzamidoacetate

sodium 2-benzamidoacetate (PubChem CID 516953) has the molecular formula C9H8NNaO3 and a molecular weight of 201.16 g/mol. Its IUPAC name is sodium 2-benzamidoacetate.

Molecular Properties

Compound Namesodium 2-benzamidoacetate
PubChem CID516953
Molecular FormulaC9H8NNaO3
Molecular Weight201.16 g/mol
Exact Mass201.04
IUPAC Namesodium 2-benzamidoacetate
SMILESO=C([O-])CNC(=O)c1ccccc1.[Na+]
InChIInChI=1S/C9H9NO3.Na/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1
InChIKeyZBCAZEFVTIBZJS-UHFFFAOYSA-M
XLogP-3.83
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-3.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-benzamidoacetate?
The IUPAC name of sodium 2-benzamidoacetate (CID 516953) is sodium 2-benzamidoacetate.
What is the SMILES notation for sodium 2-benzamidoacetate?
The canonical SMILES for sodium 2-benzamidoacetate is O=C([O-])CNC(=O)c1ccccc1.[Na+].
What is the InChIKey of sodium 2-benzamidoacetate?
The InChIKey is ZBCAZEFVTIBZJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO3.Na/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-benzamidoacetate?
sodium 2-benzamidoacetate has a molecular weight of 201.16 g/mol, XLogP of -3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-benzamidoacetate is sourced from PubChem (CID 516953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).