[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

C13H25ClN2O2 — CID 120793891

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-3-10-6-9(2)8-15(10)13(16)12-5-4-11(7-14)17-12;/h9-12H,3-8,14H2,1-2H3;1H/t9?,10?,11-,12+;/m1./s1
InChIKeyZYNCBHJEDUJDOO-ZJYISFHGSA-N
MW276.81 g/mol
LogP1.56
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120793891) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120793891
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-3-10-6-9(2)8-15(10)13(16)12-5-4-11(7-14)17-12;/h9-12H,3-8,14H2,1-2H3;1H/t9?,10?,11-,12+;/m1./s1
InChIKeyZYNCBHJEDUJDOO-ZJYISFHGSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 120794622
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,5-dimethylpiperidin-1-yl)methanone
CID 120793872
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 120787942
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120796305
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794067
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120788095
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793803
[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 130747829
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 120785589
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (CID 120793891) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is CCC1CC(C)CN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is ZYNCBHJEDUJDOO-ZJYISFHGSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-3-10-6-9(2)8-15(10)13(16)12-5-4-11(7-14)17-12;/h9-12H,3-8,14H2,1-2H3;1H/t9?,10?,11-,12+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120793891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).