[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone

C17H24N2O — CID 124777626

IUPAC[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O/c18-16-8-4-7-15(16)17(20)19-10-9-14(12-19)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12,18H2/t14-,15-,16-/m1/s1
InChIKeyLBVAJKOPEWMGAL-BZUAXINKSA-N
MW272.39 g/mol
LogP2.20
Rot. Bonds3

About [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone

[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone (PubChem CID 124777626) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
PubChem CID124777626
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O/c18-16-8-4-7-15(16)17(20)19-10-9-14(12-19)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12,18H2/t14-,15-,16-/m1/s1
InChIKeyLBVAJKOPEWMGAL-BZUAXINKSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
CID 119725013
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 124699470
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59102662
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
(2-aminocyclopentyl)-(3-propylpyrrolidin-1-yl)methanone
CID 115739353
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone (CID 124777626) is [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone is N[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](Cc2ccccc2)C1.
What is the InChIKey of [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone?
The InChIKey is LBVAJKOPEWMGAL-BZUAXINKSA-N. The full InChI is InChI=1S/C17H24N2O/c18-16-8-4-7-15(16)17(20)19-10-9-14(12-19)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12,18H2/t14-,15-,16-/m1/s1.
What are the key properties of [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone?
[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124777626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).