(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C12H22N2O2 — CID 102780572

IUPAC(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CCCC2N)C1CO
InChIInChI=1S/C12H22N2O2/c1-8-5-6-14(11(8)7-15)12(16)9-3-2-4-10(9)13/h8-11,15H,2-7,13H2,1H3
InChIKeyYHNWPPDAFAJXTF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds2

About (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102780572) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102780572
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CCCC2N)C1CO
InChIInChI=1S/C12H22N2O2/c1-8-5-6-14(11(8)7-15)12(16)9-3-2-4-10(9)13/h8-11,15H,2-7,13H2,1H3
InChIKeyYHNWPPDAFAJXTF-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780576
1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780337
(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780666
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102893952
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 102738003
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218042

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102780572) is (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)C2CCCC2N)C1CO.
What is the InChIKey of (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is YHNWPPDAFAJXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-5-6-14(11(8)7-15)12(16)9-3-2-4-10(9)13/h8-11,15H,2-7,13H2,1H3.
What are the key properties of (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102780572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).