2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid

C12H11Cl2NO6 — CID 63645389

IUPAC2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO6/c13-7-1-2-9(8(14)3-7)21-6-10(16)15(4-11(17)18)5-12(19)20/h1-3H,4-6H2,(H,17,18)(H,19,20)
InChIKeyPQDDEDDSMOFFGN-UHFFFAOYSA-N
MW336.13 g/mol
LogP1.37
Rot. Bonds7

About 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid

2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid (PubChem CID 63645389) has the molecular formula C12H11Cl2NO6 and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
PubChem CID63645389
Molecular FormulaC12H11Cl2NO6
Molecular Weight336.13 g/mol
Exact Mass335.00
IUPAC Name2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO6/c13-7-1-2-9(8(14)3-7)21-6-10(16)15(4-11(17)18)5-12(19)20/h1-3H,4-6H2,(H,17,18)(H,19,20)
InChIKeyPQDDEDDSMOFFGN-UHFFFAOYSA-N
XLogP1.37
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[(2-amino-2-oxoethyl)-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]acetic acid
CID 107433623
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-[[2-(2,5-dichlorophenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79274065
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79275280
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79279200
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid (CID 63645389) is 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid?
The InChIKey is PQDDEDDSMOFFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO6/c13-7-1-2-9(8(14)3-7)21-6-10(16)15(4-11(17)18)5-12(19)20/h1-3H,4-6H2,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid?
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid has a molecular weight of 336.13 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 63645389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).