(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate

C16H15NO4 — CID 24687453

IUPAC(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
SMILESCC(OC(=O)c1cccc(O)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15NO4/c1-11(15(19)17-13-7-3-2-4-8-13)21-16(20)12-6-5-9-14(18)10-12/h2-11,18H,1H3,(H,17,19)
InChIKeyXUAZZOSEEGXHMO-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.58
Rot. Bonds4

About (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate

(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate (PubChem CID 24687453) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate.

Molecular Properties

Compound Name(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
PubChem CID24687453
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
SMILESCC(OC(=O)c1cccc(O)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15NO4/c1-11(15(19)17-13-7-3-2-4-8-13)21-16(20)12-6-5-9-14(18)10-12/h2-11,18H,1H3,(H,17,19)
InChIKeyXUAZZOSEEGXHMO-UHFFFAOYSA-N
XLogP2.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483604
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890211
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523840
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065135
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41291596
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41197855
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7378633
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7790183
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483574
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate?
The IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate (CID 24687453) is (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate.
What is the SMILES notation for (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate?
The canonical SMILES for (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate is CC(OC(=O)c1cccc(O)c1)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate?
The InChIKey is XUAZZOSEEGXHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11(15(19)17-13-7-3-2-4-8-13)21-16(20)12-6-5-9-14(18)10-12/h2-11,18H,1H3,(H,17,19).
What are the key properties of (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate?
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate is sourced from PubChem (CID 24687453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).