2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid

C12H12Cl2N2O5 — CID 63646991

IUPAC2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O5/c13-7-2-1-3-8(14)12(7)15-9(17)4-16(5-10(18)19)6-11(20)21/h1-3H,4-6H2,(H,15,17)(H,18,19)(H,20,21)
InChIKeyIYKDTHRIJPDRQA-UHFFFAOYSA-N
MW335.14 g/mol
LogP1.40
Rot. Bonds7

About 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid

2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 63646991) has the molecular formula C12H12Cl2N2O5 and a molecular weight of 335.14 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID63646991
Molecular FormulaC12H12Cl2N2O5
Molecular Weight335.14 g/mol
Exact Mass334.01
IUPAC Name2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O5/c13-7-2-1-3-8(14)12(7)15-9(17)4-16(5-10(18)19)6-11(20)21/h1-3H,4-6H2,(H,15,17)(H,18,19)(H,20,21)
InChIKeyIYKDTHRIJPDRQA-UHFFFAOYSA-N
XLogP1.40
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid (CID 63646991) is 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid is O=C(O)CN(CC(=O)O)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is IYKDTHRIJPDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O5/c13-7-2-1-3-8(14)12(7)15-9(17)4-16(5-10(18)19)6-11(20)21/h1-3H,4-6H2,(H,15,17)(H,18,19)(H,20,21).
What are the key properties of 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 335.14 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 63646991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).