2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate

C11H9NO6-2 — CID 21263475

IUPAC2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])c1ccccc1C(=O)O
InChIInChI=1S/C11H11NO6/c13-9(14)5-12(6-10(15)16)8-4-2-1-3-7(8)11(17)18/h1-4H,5-6H2,(H,13,14)(H,15,16)(H,17,18)/p-2
InChIKeyIKEUZCGOPYSHNN-UHFFFAOYSA-L
MW251.19 g/mol
LogP-2.31
Rot. Bonds6

About 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate

2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate (PubChem CID 21263475) has the molecular formula C11H9NO6-2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate.

Molecular Properties

Compound Name2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate
PubChem CID21263475
Molecular FormulaC11H9NO6-2
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])c1ccccc1C(=O)O
InChIInChI=1S/C11H11NO6/c13-9(14)5-12(6-10(15)16)8-4-2-1-3-7(8)11(17)18/h1-4H,5-6H2,(H,13,14)(H,15,16)(H,17,18)/p-2
InChIKeyIKEUZCGOPYSHNN-UHFFFAOYSA-L
XLogP-2.31
TPSA120.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 5-2.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate?
The IUPAC name of 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate (CID 21263475) is 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate.
What is the SMILES notation for 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate?
The canonical SMILES for 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate is O=C([O-])CN(CC(=O)[O-])c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate?
The InChIKey is IKEUZCGOPYSHNN-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11NO6/c13-9(14)5-12(6-10(15)16)8-4-2-1-3-7(8)11(17)18/h1-4H,5-6H2,(H,13,14)(H,15,16)(H,17,18)/p-2.
What are the key properties of 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate?
2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate has a molecular weight of 251.19 g/mol, XLogP of -2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate is sourced from PubChem (CID 21263475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).