1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone

C15H26N2O2 — CID 91386204

IUPAC1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC(C(C)(C)C)N1
InChIInChI=1S/C15H26N2O2/c1-10(18)12-6-5-9-17(12)14(19)11-7-8-13(16-11)15(2,3)4/h11-13,16H,5-9H2,1-4H3/t11-,12+,13?/m0/s1
InChIKeyVLMIBZLNWUMPDB-LAGVYOHYSA-N
MW266.38 g/mol
LogP1.73
Rot. Bonds2

About 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone

1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone (PubChem CID 91386204) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
PubChem CID91386204
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC(C(C)(C)C)N1
InChIInChI=1S/C15H26N2O2/c1-10(18)12-6-5-9-17(12)14(19)11-7-8-13(16-11)15(2,3)4/h11-13,16H,5-9H2,1-4H3/t11-,12+,13?/m0/s1
InChIKeyVLMIBZLNWUMPDB-LAGVYOHYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-{[(2S,5R)-5-(propan-2-yl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11602713
5(r)-Tert-butyl-l-prolyl-pyrrolidine trifluoroacetic acid salt
CID 69621999
2,2-Dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one
CID 21338897
2,2-Dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one
CID 21338898
1-acetyl-N-[2-(1-methylcyclopentyl)ethyl]pyrrolidine-2-carboxamide
CID 23531194
1-(2-Acetyl-5-methylpyrrolidin-1-yl)-2-(methylamino)butan-1-one
CID 53902597
1-[5-(2,2-dimethylpropanoyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-yl]-2,2-dimethylpropan-1-one
CID 57581870
1-[5-(2,2-dimethylpropanoyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one
CID 57581883
2-methyl-1-[(2S)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one
CID 57689712
2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one
CID 58177858
2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one
CID 58177906
(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one
CID 58344389

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone (CID 91386204) is 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone is CC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC(C(C)(C)C)N1.
What is the InChIKey of 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
The InChIKey is VLMIBZLNWUMPDB-LAGVYOHYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(18)12-6-5-9-17(12)14(19)11-7-8-13(16-11)15(2,3)4/h11-13,16H,5-9H2,1-4H3/t11-,12+,13?/m0/s1.
What are the key properties of 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone has a molecular weight of 266.38 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 91386204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).