[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 124686128

IUPAC[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C13H24N2O2/c1-17-9-12-6-3-7-15(12)13(16)10-4-2-5-11(14)8-10/h10-12H,2-9,14H2,1H3/t10-,11+,12-/m0/s1
InChIKeyOMYAMYVTGCCUEY-TUAOUCFPSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds3

About [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 124686128) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID124686128
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C13H24N2O2/c1-17-9-12-6-3-7-15(12)13(16)10-4-2-5-11(14)8-10/h10-12H,2-9,14H2,1H3/t10-,11+,12-/m0/s1
InChIKeyOMYAMYVTGCCUEY-TUAOUCFPSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082
[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 119765929
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560
[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 99776174
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 155944065
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 124686128) is [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OMYAMYVTGCCUEY-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-9-12-6-3-7-15(12)13(16)10-4-2-5-11(14)8-10/h10-12H,2-9,14H2,1H3/t10-,11+,12-/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124686128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).