[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate

C20H21NO4 — CID 7950325

IUPAC[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C20H21NO4/c1-15(19(22)21-13-7-8-14-21)24-20(23)17-11-5-6-12-18(17)25-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3/t15-/m0/s1
InChIKeySMABHNGVGPVBEY-HNNXBMFYSA-N
MW339.39 g/mol
LogP3.65
Rot. Bonds5

About [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate

[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate (PubChem CID 7950325) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
PubChem CID7950325
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C20H21NO4/c1-15(19(22)21-13-7-8-14-21)24-20(23)17-11-5-6-12-18(17)25-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3/t15-/m0/s1
InChIKeySMABHNGVGPVBEY-HNNXBMFYSA-N
XLogP3.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498436
(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 2462402
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
CID 60730477
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760769
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
[1-(azepan-1-yl)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 47011640
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 8987900
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 8820503

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate?
The IUPAC name of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate (CID 7950325) is [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate.
What is the SMILES notation for [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate?
The canonical SMILES for [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate is C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate?
The InChIKey is SMABHNGVGPVBEY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-15(19(22)21-13-7-8-14-21)24-20(23)17-11-5-6-12-18(17)25-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate?
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate has a molecular weight of 339.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate is sourced from PubChem (CID 7950325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).