2-(2-cyano-N,5-dimethylanilino)acetic acid

C11H12N2O2 — CID 62308954

IUPAC2-(2-cyano-N,5-dimethylanilino)acetic acid
SMILESCc1ccc(C#N)c(N(C)CC(=O)O)c1
InChIInChI=1S/C11H12N2O2/c1-8-3-4-9(6-12)10(5-8)13(2)7-11(14)15/h3-5H,7H2,1-2H3,(H,14,15)
InChIKeyPRUYWQBHXUETFF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.39
Rot. Bonds3

About 2-(2-cyano-N,5-dimethylanilino)acetic acid

2-(2-cyano-N,5-dimethylanilino)acetic acid (PubChem CID 62308954) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2-cyano-N,5-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-cyano-N,5-dimethylanilino)acetic acid
PubChem CID62308954
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(2-cyano-N,5-dimethylanilino)acetic acid
SMILESCc1ccc(C#N)c(N(C)CC(=O)O)c1
InChIInChI=1S/C11H12N2O2/c1-8-3-4-9(6-12)10(5-8)13(2)7-11(14)15/h3-5H,7H2,1-2H3,(H,14,15)
InChIKeyPRUYWQBHXUETFF-UHFFFAOYSA-N
XLogP1.39
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N,5-dimethylanilino)acetic acid?
The IUPAC name of 2-(2-cyano-N,5-dimethylanilino)acetic acid (CID 62308954) is 2-(2-cyano-N,5-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(2-cyano-N,5-dimethylanilino)acetic acid?
The canonical SMILES for 2-(2-cyano-N,5-dimethylanilino)acetic acid is Cc1ccc(C#N)c(N(C)CC(=O)O)c1.
What is the InChIKey of 2-(2-cyano-N,5-dimethylanilino)acetic acid?
The InChIKey is PRUYWQBHXUETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-3-4-9(6-12)10(5-8)13(2)7-11(14)15/h3-5H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-cyano-N,5-dimethylanilino)acetic acid?
2-(2-cyano-N,5-dimethylanilino)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N,5-dimethylanilino)acetic acid is sourced from PubChem (CID 62308954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).