[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride

C12H23ClN2O2 — CID 120796305

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1C.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-8-5-6-14(9(8)2)12(15)11-4-3-10(7-13)16-11;/h8-11H,3-7,13H2,1-2H3;1H/t8?,9?,10-,11+;/m1./s1
InChIKeyGSLJGDCMWNTKQO-SPFAKDPSSA-N
MW262.78 g/mol
LogP1.17
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120796305) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120796305
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1C.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-8-5-6-14(9(8)2)12(15)11-4-3-10(7-13)16-11;/h8-11H,3-7,13H2,1-2H3;1H/t8?,9?,10-,11+;/m1./s1
InChIKeyGSLJGDCMWNTKQO-SPFAKDPSSA-N
XLogP1.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120788095
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 120794622
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,5-dimethylpiperidin-1-yl)methanone
CID 120793872
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride
CID 120791887
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793891
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 120787942
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 120794811
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 120787268
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793803

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride (CID 120796305) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride is CC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1C.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is GSLJGDCMWNTKQO-SPFAKDPSSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-8-5-6-14(9(8)2)12(15)11-4-3-10(7-13)16-11;/h8-11H,3-7,13H2,1-2H3;1H/t8?,9?,10-,11+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.17, 2 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]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120796305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).