[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone

C10H18N2O — CID 97030843

IUPAC[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
SMILESN[C@H]1CC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C10H18N2O/c11-9-4-3-8(7-9)10(13)12-5-1-2-6-12/h8-9H,1-7,11H2/t8-,9-/m0/s1
InChIKeySAEUPIMIRKHBCD-IUCAKERBSA-N
MW182.27 g/mol
LogP0.74
Rot. Bonds1

About [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone

[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone (PubChem CID 97030843) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
PubChem CID97030843
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
SMILESN[C@H]1CC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C10H18N2O/c11-9-4-3-8(7-9)10(13)12-5-1-2-6-12/h8-9H,1-7,11H2/t8-,9-/m0/s1
InChIKeySAEUPIMIRKHBCD-IUCAKERBSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 66032292
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119794884
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
(3-aminocyclopentyl)-(4-propylazepan-1-yl)methanone
CID 66009237
2-[4-(3-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844119
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
[(1S,3R)-3-aminocyclopentyl]-(4,4-difluoropiperidin-1-yl)methanone;hydrochloride
CID 154910969

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone (CID 97030843) is [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone is N[C@H]1CC[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SAEUPIMIRKHBCD-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18N2O/c11-9-4-3-8(7-9)10(13)12-5-1-2-6-12/h8-9H,1-7,11H2/t8-,9-/m0/s1.
What are the key properties of [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone?
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone has a molecular weight of 182.27 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97030843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).