(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O2 — CID 94838688

IUPAC(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)14-8-6-13(7-9-14)16-5-4-12-21(16)18(23)15-10-11-17(22)20-15/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyNUGSOFVINGQMDK-CVEARBPZSA-N
MW314.43 g/mol
LogP2.93
Rot. Bonds2

About (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94838688) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID94838688
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)14-8-6-13(7-9-14)16-5-4-12-21(16)18(23)15-10-11-17(22)20-15/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyNUGSOFVINGQMDK-CVEARBPZSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-[2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 75467126
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
(5S)-5-[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336778
[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119288433
(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 13306589
(5S)-5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrrolidin-2-one
CID 95134113
(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone
CID 166202740
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721663
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
1-[2-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908908
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264258
5-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 127712850

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 94838688) is (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1.
What is the InChIKey of (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NUGSOFVINGQMDK-CVEARBPZSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)14-8-6-13(7-9-14)16-5-4-12-21(16)18(23)15-10-11-17(22)20-15/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94838688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).