2-[N-(carboxymethyl)-4-chloroanilino]acetic acid

C10H10ClNO4 — CID 684835

IUPAC2-[N-(carboxymethyl)-4-chloroanilino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyWMBYHFQQLOEIHJ-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.32
Rot. Bonds5

About 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid

2-[N-(carboxymethyl)-4-chloroanilino]acetic acid (PubChem CID 684835) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(carboxymethyl)-4-chloroanilino]acetic acid
PubChem CID684835
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-[N-(carboxymethyl)-4-chloroanilino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyWMBYHFQQLOEIHJ-UHFFFAOYSA-N
XLogP1.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid?
The IUPAC name of 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid (CID 684835) is 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid.
What is the SMILES notation for 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid?
The canonical SMILES for 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid is O=C(O)CN(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid?
The InChIKey is WMBYHFQQLOEIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid?
2-[N-(carboxymethyl)-4-chloroanilino]acetic acid has a molecular weight of 243.65 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(carboxymethyl)-4-chloroanilino]acetic acid is sourced from PubChem (CID 684835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).