[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate

C16H18N2O5 — CID 8569468

IUPAC[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H18N2O5/c1-9(19)11-5-3-4-6-12(11)18-15(21)10(2)23-16(22)13-7-8-14(20)17-13/h3-6,10,13H,7-8H2,1-2H3,(H,17,20)(H,18,21)/t10-,13+/m1/s1
InChIKeyXHJZHOZKPFCAJS-MFKMUULPSA-N
MW318.33 g/mol
LogP1.04
Rot. Bonds5

About [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate

[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 8569468) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID8569468
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H18N2O5/c1-9(19)11-5-3-4-6-12(11)18-15(21)10(2)23-16(22)13-7-8-14(20)17-13/h3-6,10,13H,7-8H2,1-2H3,(H,17,20)(H,18,21)/t10-,13+/m1/s1
InChIKeyXHJZHOZKPFCAJS-MFKMUULPSA-N
XLogP1.04
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8948112
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 27508482
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 11924666
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059439
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46622593
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886418
[1-(2-acetylanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55420345
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11924854
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735820
methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate (CID 8569468) is [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate is CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is XHJZHOZKPFCAJS-MFKMUULPSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9(19)11-5-3-4-6-12(11)18-15(21)10(2)23-16(22)13-7-8-14(20)17-13/h3-6,10,13H,7-8H2,1-2H3,(H,17,20)(H,18,21)/t10-,13+/m1/s1.
What are the key properties of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 8569468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).