2-[N-(carboxymethyl)-3-methylanilino]acetic acid

C11H13NO4 — CID 765166

IUPAC2-[N-(carboxymethyl)-3-methylanilino]acetic acid
SMILESCc1cccc(N(CC(=O)O)CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-8-3-2-4-9(5-8)12(6-10(13)14)7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZHYMBNLOYMJTPR-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.97
Rot. Bonds5

About 2-[N-(carboxymethyl)-3-methylanilino]acetic acid

2-[N-(carboxymethyl)-3-methylanilino]acetic acid (PubChem CID 765166) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[N-(carboxymethyl)-3-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(carboxymethyl)-3-methylanilino]acetic acid
PubChem CID765166
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[N-(carboxymethyl)-3-methylanilino]acetic acid
SMILESCc1cccc(N(CC(=O)O)CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-8-3-2-4-9(5-8)12(6-10(13)14)7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZHYMBNLOYMJTPR-UHFFFAOYSA-N
XLogP0.97
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(carboxymethyl)-3-methylanilino]acetic acid?
The IUPAC name of 2-[N-(carboxymethyl)-3-methylanilino]acetic acid (CID 765166) is 2-[N-(carboxymethyl)-3-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(carboxymethyl)-3-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(carboxymethyl)-3-methylanilino]acetic acid is Cc1cccc(N(CC(=O)O)CC(=O)O)c1.
What is the InChIKey of 2-[N-(carboxymethyl)-3-methylanilino]acetic acid?
The InChIKey is ZHYMBNLOYMJTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8-3-2-4-9(5-8)12(6-10(13)14)7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[N-(carboxymethyl)-3-methylanilino]acetic acid?
2-[N-(carboxymethyl)-3-methylanilino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(carboxymethyl)-3-methylanilino]acetic acid is sourced from PubChem (CID 765166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).