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

C15H26N2O2 — CID 157085240

IUPAC1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC[C@H](C(C)(C)C)N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H26N2O2/c1-10(18)12-7-8-13(15(2,3)4)17(12)14(19)11-6-5-9-16-11/h11-13,16H,5-9H2,1-4H3/t11-,12?,13+/m0/s1
InChIKeyKAQIDGJPVXMQDK-IAMFDIQRSA-N
MW266.38 g/mol
LogP1.73
Rot. Bonds2

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

1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone (PubChem CID 157085240) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
PubChem CID157085240
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC[C@H](C(C)(C)C)N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H26N2O2/c1-10(18)12-7-8-13(15(2,3)4)17(12)14(19)11-6-5-9-16-11/h11-13,16H,5-9H2,1-4H3/t11-,12?,13+/m0/s1
InChIKeyKAQIDGJPVXMQDK-IAMFDIQRSA-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
1-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-2-azaspiro[4.4]nonane-3-carboxamide
CID 176669954
1-[(2S)-1-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 44395619
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-[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-[(2S)-1-[(2S)-2-cyclohexyl-2-(methylamino)acetyl]pyrrolidin-2-yl]-2-methylpropan-1-one
CID 57689707
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
(2S)-2-amino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]heptan-1-one
CID 58344390
5-Acetyl-2-(methylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 58849954

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone (CID 157085240) is 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone is CC(=O)C1CC[C@H](C(C)(C)C)N1C(=O)[C@@H]1CCCN1.
What is the InChIKey of 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
The InChIKey is KAQIDGJPVXMQDK-IAMFDIQRSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(18)12-7-8-13(15(2,3)4)17(12)14(19)11-6-5-9-16-11/h11-13,16H,5-9H2,1-4H3/t11-,12?,13+/m0/s1.
What are the key properties of 1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone?
1-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-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-[(5R)-5-tert-butyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 157085240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).