2-(2-methylanilino)acetic acid

C9H11NO2 — CID 4583543

IUPAC2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NCC(=O)O
InChIInChI=1S/C9H11NO2/c1-7-4-2-3-5-8(7)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyDYPOHVRBXIPFIK-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-methylanilino)acetic acid

2-(2-methylanilino)acetic acid (PubChem CID 4583543) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-methylanilino)acetic acid
PubChem CID4583543
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NCC(=O)O
InChIInChI=1S/C9H11NO2/c1-7-4-2-3-5-8(7)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyDYPOHVRBXIPFIK-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)acetic acid?
The IUPAC name of 2-(2-methylanilino)acetic acid (CID 4583543) is 2-(2-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-methylanilino)acetic acid?
The canonical SMILES for 2-(2-methylanilino)acetic acid is Cc1ccccc1NCC(=O)O.
What is the InChIKey of 2-(2-methylanilino)acetic acid?
The InChIKey is DYPOHVRBXIPFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-4-2-3-5-8(7)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 2-(2-methylanilino)acetic acid?
2-(2-methylanilino)acetic acid has a molecular weight of 165.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)acetic acid is sourced from PubChem (CID 4583543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).