propyl 2-(4-hydroxyanilino)acetate

C11H15NO3 — CID 22630351

IUPACpropyl 2-(4-hydroxyanilino)acetate
SMILESCCCOC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-2-7-15-11(14)8-12-9-3-5-10(13)6-4-9/h3-6,12-13H,2,7-8H2,1H3
InChIKeySSBBGTFIVBEVRZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.76
Rot. Bonds5

About propyl 2-(4-hydroxyanilino)acetate

propyl 2-(4-hydroxyanilino)acetate (PubChem CID 22630351) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is propyl 2-(4-hydroxyanilino)acetate.

Molecular Properties

Compound Namepropyl 2-(4-hydroxyanilino)acetate
PubChem CID22630351
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namepropyl 2-(4-hydroxyanilino)acetate
SMILESCCCOC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-2-7-15-11(14)8-12-9-3-5-10(13)6-4-9/h3-6,12-13H,2,7-8H2,1H3
InChIKeySSBBGTFIVBEVRZ-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
4-methylpentyl 2-(4-hydroxyanilino)acetate
CID 61303683
2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
CID 106448108
2-propoxyethyl 2-(4-methylanilino)acetate
CID 63685417
pentyl 2-(4-methylanilino)acetate
CID 61303910
propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
propyl 2-(3-chloroanilino)acetate
CID 60835010
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
butyl 2-(4-methylsulfanylanilino)acetate
CID 54917733
heptyl 2-anilinoacetate
CID 61302862
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
4-methylphenol;propyl propanoate
CID 174290139

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-hydroxyanilino)acetate?
The IUPAC name of propyl 2-(4-hydroxyanilino)acetate (CID 22630351) is propyl 2-(4-hydroxyanilino)acetate.
What is the SMILES notation for propyl 2-(4-hydroxyanilino)acetate?
The canonical SMILES for propyl 2-(4-hydroxyanilino)acetate is CCCOC(=O)CNc1ccc(O)cc1.
What is the InChIKey of propyl 2-(4-hydroxyanilino)acetate?
The InChIKey is SSBBGTFIVBEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-7-15-11(14)8-12-9-3-5-10(13)6-4-9/h3-6,12-13H,2,7-8H2,1H3.
What are the key properties of propyl 2-(4-hydroxyanilino)acetate?
propyl 2-(4-hydroxyanilino)acetate has a molecular weight of 209.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-hydroxyanilino)acetate is sourced from PubChem (CID 22630351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).