[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate

C23H26N2O4 — CID 9133350

IUPAC[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1N1CCCC1=O)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-16(18-9-4-3-5-10-18)15-24-22(27)17(2)29-23(28)19-11-6-7-12-20(19)25-14-8-13-21(25)26/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,27)/t16-,17+/m0/s1
InChIKeyWWWDFLALZYRTNC-DLBZAZTESA-N
MW394.47 g/mol
LogP3.28
Rot. Bonds7

About [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate

[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9133350) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9133350
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1N1CCCC1=O)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-16(18-9-4-3-5-10-18)15-24-22(27)17(2)29-23(28)19-11-6-7-12-20(19)25-14-8-13-21(25)26/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,27)/t16-,17+/m0/s1
InChIKeyWWWDFLALZYRTNC-DLBZAZTESA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
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[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
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[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
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[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
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[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
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[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134419
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132748
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
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[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-[(R)-methylsulfinyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9133350) is [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate is C[C@@H](OC(=O)c1ccccc1N1CCCC1=O)C(=O)NC[C@H](C)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is WWWDFLALZYRTNC-DLBZAZTESA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16(18-9-4-3-5-10-18)15-24-22(27)17(2)29-23(28)19-11-6-7-12-20(19)25-14-8-13-21(25)26/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,27)/t16-,17+/m0/s1.
What are the key properties of [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9133350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).