2-[2-(methylcarbamoyl)anilino]acetic acid

C10H12N2O3 — CID 5305557

IUPAC2-[2-(methylcarbamoyl)anilino]acetic acid
SMILESCNC(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C10H12N2O3/c1-11-10(15)7-4-2-3-5-8(7)12-6-9(13)14/h2-5,12H,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyWMMTZKFXKPPIDC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.54
Rot. Bonds4

About 2-[2-(methylcarbamoyl)anilino]acetic acid

2-[2-(methylcarbamoyl)anilino]acetic acid (PubChem CID 5305557) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[2-(methylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-(methylcarbamoyl)anilino]acetic acid
PubChem CID5305557
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[2-(methylcarbamoyl)anilino]acetic acid
SMILESCNC(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C10H12N2O3/c1-11-10(15)7-4-2-3-5-8(7)12-6-9(13)14/h2-5,12H,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyWMMTZKFXKPPIDC-UHFFFAOYSA-N
XLogP0.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[2-(methylcarbamoyl)anilino]acetic acid (CID 5305557) is 2-[2-(methylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-(methylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[2-(methylcarbamoyl)anilino]acetic acid is CNC(=O)c1ccccc1NCC(=O)O.
What is the InChIKey of 2-[2-(methylcarbamoyl)anilino]acetic acid?
The InChIKey is WMMTZKFXKPPIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-10(15)7-4-2-3-5-8(7)12-6-9(13)14/h2-5,12H,6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[2-(methylcarbamoyl)anilino]acetic acid?
2-[2-(methylcarbamoyl)anilino]acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 5305557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).