4-methyl-3-(propanoylamino)benzoic acid

C11H13NO3 — CID 888092

IUPAC4-methyl-3-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C11H13NO3/c1-3-10(13)12-9-6-8(11(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUZFFAVZVIXETGB-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.04
Rot. Bonds3

About 4-methyl-3-(propanoylamino)benzoic acid

4-methyl-3-(propanoylamino)benzoic acid (PubChem CID 888092) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-methyl-3-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(propanoylamino)benzoic acid
PubChem CID888092
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-methyl-3-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C11H13NO3/c1-3-10(13)12-9-6-8(11(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUZFFAVZVIXETGB-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(propanoylamino)benzoate
CID 4745923
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
4-iodo-3-(propanoylamino)benzoic acid
CID 127019066
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
4-methyl-3-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854184
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(propanoylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(propanoylamino)benzoic acid (CID 888092) is 4-methyl-3-(propanoylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(propanoylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(propanoylamino)benzoic acid is CCC(=O)Nc1cc(C(=O)O)ccc1C.
What is the InChIKey of 4-methyl-3-(propanoylamino)benzoic acid?
The InChIKey is UZFFAVZVIXETGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-10(13)12-9-6-8(11(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-3-(propanoylamino)benzoic acid?
4-methyl-3-(propanoylamino)benzoic acid has a molecular weight of 207.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(propanoylamino)benzoic acid is sourced from PubChem (CID 888092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).