2-(2-methylpropanoylamino)benzoic acid

C11H13NO3 — CID 880187

IUPAC2-(2-methylpropanoylamino)benzoic acid
SMILESCC(C)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H13NO3/c1-7(2)10(13)12-9-6-4-3-5-8(9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChIKeyMDNWGZNJNJKROK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-methylpropanoylamino)benzoic acid

2-(2-methylpropanoylamino)benzoic acid (PubChem CID 880187) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)benzoic acid
PubChem CID880187
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-methylpropanoylamino)benzoic acid
SMILESCC(C)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H13NO3/c1-7(2)10(13)12-9-6-4-3-5-8(9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChIKeyMDNWGZNJNJKROK-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)benzoic acid?
The IUPAC name of 2-(2-methylpropanoylamino)benzoic acid (CID 880187) is 2-(2-methylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-(2-methylpropanoylamino)benzoic acid?
The canonical SMILES for 2-(2-methylpropanoylamino)benzoic acid is CC(C)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methylpropanoylamino)benzoic acid?
The InChIKey is MDNWGZNJNJKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)10(13)12-9-6-4-3-5-8(9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-methylpropanoylamino)benzoic acid?
2-(2-methylpropanoylamino)benzoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)benzoic acid is sourced from PubChem (CID 880187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).