propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate

C18H21NO6 — CID 14038153

IUPACpropan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate
SMILESCC(=O)OC(C(=O)N1C(=O)CCC1C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C18H21NO6/c1-11(2)24-18(23)14-9-10-15(21)19(14)17(22)16(25-12(3)20)13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3
InChIKeyZRTWEFFURRIENH-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.76
Rot. Bonds5

About propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate

propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 14038153) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID14038153
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Namepropan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate
SMILESCC(=O)OC(C(=O)N1C(=O)CCC1C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C18H21NO6/c1-11(2)24-18(23)14-9-10-15(21)19(14)17(22)16(25-12(3)20)13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3
InChIKeyZRTWEFFURRIENH-UHFFFAOYSA-N
XLogP1.76
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate
CID 7282772
methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 91397358
(8aS)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-acetyloxy-2-phenylacetic acid
CID 67025712
methyl (2S)-1-(2-bromopropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 101265890
[(1S)-2-[(4bR,9bS)-9b,10-dihydro-4bH-indeno[1,2-b]indol-5-yl]-2-oxo-1-phenylethyl] acetate
CID 124853991
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 56950772
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl] (2S)-2-acetyloxy-2-phenylacetate
CID 101492909

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate (CID 14038153) is propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate is CC(=O)OC(C(=O)N1C(=O)CCC1C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ZRTWEFFURRIENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-11(2)24-18(23)14-9-10-15(21)19(14)17(22)16(25-12(3)20)13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3.
What are the key properties of propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate?
propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 14038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).