propan-2-yl 2-(4-hydroxyanilino)acetate

C11H15NO3 — CID 22630318

IUPACpropan-2-yl 2-(4-hydroxyanilino)acetate
SMILESCC(C)OC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-8(2)15-11(14)7-12-9-3-5-10(13)6-4-9/h3-6,8,12-13H,7H2,1-2H3
InChIKeyGGVSKEUXMQEFND-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.76
Rot. Bonds4

About propan-2-yl 2-(4-hydroxyanilino)acetate

propan-2-yl 2-(4-hydroxyanilino)acetate (PubChem CID 22630318) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is propan-2-yl 2-(4-hydroxyanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-hydroxyanilino)acetate
PubChem CID22630318
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namepropan-2-yl 2-(4-hydroxyanilino)acetate
SMILESCC(C)OC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-8(2)15-11(14)7-12-9-3-5-10(13)6-4-9/h3-6,8,12-13H,7H2,1-2H3
InChIKeyGGVSKEUXMQEFND-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

octan-2-yl 2-(4-hydroxyanilino)acetate
CID 61302691
propan-2-yl 2-[4-[(Z)-N'-hydroxycarbamimidoyl]anilino]acetate
CID 142097819
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
4-methylpentyl 2-(4-hydroxyanilino)acetate
CID 61303683
propan-2-yl 2-(3-bromo-4-methylanilino)acetate
CID 63333938
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
CID 106448108
propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
CID 43684030
propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate
CID 107574010
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate
CID 145444503
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-hydroxyanilino)acetate?
The IUPAC name of propan-2-yl 2-(4-hydroxyanilino)acetate (CID 22630318) is propan-2-yl 2-(4-hydroxyanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(4-hydroxyanilino)acetate?
The canonical SMILES for propan-2-yl 2-(4-hydroxyanilino)acetate is CC(C)OC(=O)CNc1ccc(O)cc1.
What is the InChIKey of propan-2-yl 2-(4-hydroxyanilino)acetate?
The InChIKey is GGVSKEUXMQEFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)15-11(14)7-12-9-3-5-10(13)6-4-9/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-hydroxyanilino)acetate?
propan-2-yl 2-(4-hydroxyanilino)acetate has a molecular weight of 209.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-hydroxyanilino)acetate is sourced from PubChem (CID 22630318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).