2-(N-formyl-3,5-dimethylanilino)acetic acid

C11H13NO3 — CID 12644851

IUPAC2-(N-formyl-3,5-dimethylanilino)acetic acid
SMILESCc1cc(C)cc(N(C=O)CC(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-8-3-9(2)5-10(4-8)12(7-13)6-11(14)15/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyVXWXQHCWDUIYEY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.35
Rot. Bonds4

About 2-(N-formyl-3,5-dimethylanilino)acetic acid

2-(N-formyl-3,5-dimethylanilino)acetic acid (PubChem CID 12644851) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(N-formyl-3,5-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-formyl-3,5-dimethylanilino)acetic acid
PubChem CID12644851
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(N-formyl-3,5-dimethylanilino)acetic acid
SMILESCc1cc(C)cc(N(C=O)CC(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-8-3-9(2)5-10(4-8)12(7-13)6-11(14)15/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyVXWXQHCWDUIYEY-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-formyl-3,5-dimethylanilino)acetic acid?
The IUPAC name of 2-(N-formyl-3,5-dimethylanilino)acetic acid (CID 12644851) is 2-(N-formyl-3,5-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(N-formyl-3,5-dimethylanilino)acetic acid?
The canonical SMILES for 2-(N-formyl-3,5-dimethylanilino)acetic acid is Cc1cc(C)cc(N(C=O)CC(=O)O)c1.
What is the InChIKey of 2-(N-formyl-3,5-dimethylanilino)acetic acid?
The InChIKey is VXWXQHCWDUIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-3-9(2)5-10(4-8)12(7-13)6-11(14)15/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(N-formyl-3,5-dimethylanilino)acetic acid?
2-(N-formyl-3,5-dimethylanilino)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-formyl-3,5-dimethylanilino)acetic acid is sourced from PubChem (CID 12644851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).