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

C14H26N2O — CID 99776174

IUPAC[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C14H26N2O/c1-10(2)8-13-4-3-7-16(13)14(17)11-5-6-12(15)9-11/h10-13H,3-9,15H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyNCKJPOVHNXUKTG-AGIUHOORSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds3

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

[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 99776174) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
PubChem CID99776174
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C14H26N2O/c1-10(2)8-13-4-3-7-16(13)14(17)11-5-6-12(15)9-11/h10-13H,3-9,15H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyNCKJPOVHNXUKTG-AGIUHOORSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 119797212
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686128
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119802221
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083
[(1S,3R)-3-aminocyclopentyl]-[(2R)-2-cyclopentylpyrrolidin-1-yl]methanone
CID 124678579
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminocyclopentyl)methanone
CID 102726153

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone (CID 99776174) is [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone is CC(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is NCKJPOVHNXUKTG-AGIUHOORSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)8-13-4-3-7-16(13)14(17)11-5-6-12(15)9-11/h10-13H,3-9,15H2,1-2H3/t11-,12+,13+/m1/s1.
What are the key properties of [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 238.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99776174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).