ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate

C19H25NO3 — CID 57186145

IUPACethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2CC(=O)N(CCc3ccccc3)C2)CCC1
InChIInChI=1S/C19H25NO3/c1-2-23-18(22)19(10-6-11-19)16-13-17(21)20(14-16)12-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3
InChIKeyFWJWWCCJXOBUJX-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.81
Rot. Bonds6

About ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate

ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate (PubChem CID 57186145) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate
PubChem CID57186145
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nameethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2CC(=O)N(CCc3ccccc3)C2)CCC1
InChIInChI=1S/C19H25NO3/c1-2-23-18(22)19(10-6-11-19)16-13-17(21)20(14-16)12-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3
InChIKeyFWJWWCCJXOBUJX-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]cyclobutane-1-carboxylate
CID 54531199
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
ethyl 2,5-dimethyl-4-[2-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]oxyacetyl]-1H-pyrrole-3-carboxylate
CID 40943702
ethyl 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]triazole-4-carboxylate
CID 172906615
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644
(4-methylphenyl) 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 42997190
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 71904507
5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
CID 51151720
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898522
benzyl 3-(1-ethoxycarbonylcyclopropyl)-4-methylpyrrolidine-1-carboxylate
CID 21260993

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate (CID 57186145) is ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate is CCOC(=O)C1(C2CC(=O)N(CCc3ccccc3)C2)CCC1.
What is the InChIKey of ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
The InChIKey is FWJWWCCJXOBUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-23-18(22)19(10-6-11-19)16-13-17(21)20(14-16)12-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3.
What are the key properties of ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 57186145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).