5-methoxy-2-(propylamino)benzoic acid

C11H15NO3 — CID 54594237

IUPAC5-methoxy-2-(propylamino)benzoic acid
SMILESCCCNc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-6-12-10-5-4-8(15-2)7-9(10)11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyDWQAAZGHNMUGMM-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.22
Rot. Bonds5

About 5-methoxy-2-(propylamino)benzoic acid

5-methoxy-2-(propylamino)benzoic acid (PubChem CID 54594237) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methoxy-2-(propylamino)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(propylamino)benzoic acid
PubChem CID54594237
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-methoxy-2-(propylamino)benzoic acid
SMILESCCCNc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-6-12-10-5-4-8(15-2)7-9(10)11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyDWQAAZGHNMUGMM-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
4-methoxy-2-(3-propoxypropylamino)benzoic acid
CID 82947075
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
7-methoxy-2-(propylamino)quinoline-3-carboxylic acid
CID 10400374
2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
2-(butylamino)-5-methylbenzoic acid
CID 18802498
2-(3-ethoxypropylamino)-4-methoxybenzoic acid
CID 81305278
2-(hexan-3-ylcarbamoylamino)-5-methoxybenzoic acid
CID 115412229
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(propylamino)benzoic acid?
The IUPAC name of 5-methoxy-2-(propylamino)benzoic acid (CID 54594237) is 5-methoxy-2-(propylamino)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(propylamino)benzoic acid?
The canonical SMILES for 5-methoxy-2-(propylamino)benzoic acid is CCCNc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-(propylamino)benzoic acid?
The InChIKey is DWQAAZGHNMUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-6-12-10-5-4-8(15-2)7-9(10)11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 5-methoxy-2-(propylamino)benzoic acid?
5-methoxy-2-(propylamino)benzoic acid has a molecular weight of 209.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(propylamino)benzoic acid is sourced from PubChem (CID 54594237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).