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

C17H17NO5 — CID 2627789

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1O
InChIInChI=1S/C17H17NO5/c1-11(23-17(21)12-7-3-5-9-14(12)19)16(20)18-13-8-4-6-10-15(13)22-2/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyMHNWHFYIKQUJJM-LLVKDONJSA-N
MW315.33 g/mol
LogP2.58
Rot. Bonds5

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

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate (PubChem CID 2627789) 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] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
PubChem CID2627789
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1O
InChIInChI=1S/C17H17NO5/c1-11(23-17(21)12-7-3-5-9-14(12)19)16(20)18-13-8-4-6-10-15(13)22-2/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyMHNWHFYIKQUJJM-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] 2-ethoxybenzoate
CID 2629891
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2629772
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522887
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653346
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653349
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 2628202
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483574
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
CID 8987319
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2632058
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7478119
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 2649798
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 2506054

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate (CID 2627789) is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate is COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1O.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The InChIKey is MHNWHFYIKQUJJM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO5/c1-11(23-17(21)12-7-3-5-9-14(12)19)16(20)18-13-8-4-6-10-15(13)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] 2-hydroxybenzoate?
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-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] 2-hydroxybenzoate is sourced from PubChem (CID 2627789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).