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

C17H25ClN2O2 — CID 120793803

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CC(c2ccccc2)CN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-9-14(13-5-3-2-4-6-13)11-19(12)17(20)16-8-7-15(10-18)21-16;/h2-6,12,14-16H,7-11,18H2,1H3;1H/t12?,14?,15-,16+;/m1./s1
InChIKeyZCTVFWWALXCIHU-RSOJSUNWSA-N
MW324.85 g/mol
LogP2.32
Rot. Bonds3

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

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120793803) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120793803
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CC(c2ccccc2)CN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-9-14(13-5-3-2-4-6-13)11-19(12)17(20)16-8-7-15(10-18)21-16;/h2-6,12,14-16H,7-11,18H2,1H3;1H/t12?,14?,15-,16+;/m1./s1
InChIKeyZCTVFWWALXCIHU-RSOJSUNWSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 120794622
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 120785176
[(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]-(2,5-dimethylpiperidin-1-yl)methanone
CID 120793872
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 120787942
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793891
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
CID 119327765

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride (CID 120793803) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride is CC1CC(c2ccccc2)CN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is ZCTVFWWALXCIHU-RSOJSUNWSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-12-9-14(13-5-3-2-4-6-13)11-19(12)17(20)16-8-7-15(10-18)21-16;/h2-6,12,14-16H,7-11,18H2,1H3;1H/t12?,14?,15-,16+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.32, 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-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120793803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).