[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate

C17H17NO5 — CID 7483574

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1
InChIInChI=1S/C17H17NO5/c1-11(23-17(21)12-6-5-7-13(19)10-12)16(20)18-14-8-3-4-9-15(14)22-2/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyJUKJLPZJTPJQDJ-LLVKDONJSA-N
MW315.33 g/mol
LogP2.58
Rot. Bonds5

About [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate (PubChem CID 7483574) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
PubChem CID7483574
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1
InChIInChI=1S/C17H17NO5/c1-11(23-17(21)12-6-5-7-13(19)10-12)16(20)18-14-8-3-4-9-15(14)22-2/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyJUKJLPZJTPJQDJ-LLVKDONJSA-N
XLogP2.58
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065132
[(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-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7860096
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7478364
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7478119
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483610
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 2627789
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41291578
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 2633854
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483604

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate (CID 7483574) is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate is COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The InChIKey is JUKJLPZJTPJQDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO5/c1-11(23-17(21)12-6-5-7-13(19)10-12)16(20)18-14-8-3-4-9-15(14)22-2/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate has a molecular weight of 315.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate is sourced from PubChem (CID 7483574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).