(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C20H27NO3 — CID 97010220

IUPAC(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-20(2,16-8-4-3-5-9-16)14-24-19(23)15-12-18(22)21(13-15)17-10-6-7-11-17/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t15-/m0/s1
InChIKeyCERSAIFEXFDEEH-HNNXBMFYSA-N
MW329.44 g/mol
LogP3.30
Rot. Bonds5

About (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 97010220) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID97010220
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-20(2,16-8-4-3-5-9-16)14-24-19(23)15-12-18(22)21(13-15)17-10-6-7-11-17/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t15-/m0/s1
InChIKeyCERSAIFEXFDEEH-HNNXBMFYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 113221179
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8567917
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 9166154
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
[2-(4-bromophenyl)-2-oxoethyl] 1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 3736756
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8506444
[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8567914
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670927
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 97010220) is (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is CC(C)(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1.
What is the InChIKey of (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is CERSAIFEXFDEEH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-20(2,16-8-4-3-5-9-16)14-24-19(23)15-12-18(22)21(13-15)17-10-6-7-11-17/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 97010220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).