[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate

C17H17NO4 — CID 7797953

IUPAC[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1ccccc1O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-12(16(20)18(2)13-8-4-3-5-9-13)22-17(21)14-10-6-7-11-15(14)19/h3-12,19H,1-2H3/t12-/m1/s1
InChIKeyGDUSNGONPJJPRT-GFCCVEGCSA-N
MW299.33 g/mol
LogP2.60
Rot. Bonds4

About [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate (PubChem CID 7797953) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
PubChem CID7797953
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1ccccc1O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-12(16(20)18(2)13-8-4-3-5-9-13)22-17(21)14-10-6-7-11-15(14)19/h3-12,19H,1-2H3/t12-/m1/s1
InChIKeyGDUSNGONPJJPRT-GFCCVEGCSA-N
XLogP2.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2519746
2-O-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-O-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 29248727
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 7376908
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55318611
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 7993963
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dimethylanilino)benzoate
CID 7752626
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 2530771
[1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 18226718
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833968
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 6915166
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132405

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate (CID 7797953) is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate.
What is the SMILES notation for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The canonical SMILES for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate is C[C@@H](OC(=O)c1ccccc1O)C(=O)N(C)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The InChIKey is GDUSNGONPJJPRT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(16(20)18(2)13-8-4-3-5-9-13)22-17(21)14-10-6-7-11-15(14)19/h3-12,19H,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate has a molecular weight of 299.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate is sourced from PubChem (CID 7797953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).