cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

C18H23NO3 — CID 71904507

IUPACcyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESO=C(OC1CCCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H23NO3/c20-17-12-15(18(21)22-16-8-4-5-9-16)13-19(17)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyBLPBIVVCRZMTSQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.56
Rot. Bonds5

About cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (PubChem CID 71904507) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
PubChem CID71904507
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namecyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESO=C(OC1CCCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H23NO3/c20-17-12-15(18(21)22-16-8-4-5-9-16)13-19(17)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyBLPBIVVCRZMTSQ-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644
oxan-2-ylmethyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 78769308
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 47004107
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 42902301
(4-methylphenyl) 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 42997190
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898522
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
2-(1,3-dioxoisoindol-2-yl)ethyl (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898647
cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 52577395
methyl 1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693211
5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
CID 51151720

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (CID 71904507) is cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is O=C(OC1CCCC1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The InChIKey is BLPBIVVCRZMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17-12-15(18(21)22-16-8-4-5-9-16)13-19(17)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 71904507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).