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

C14H27ClN2O2 — CID 120791887

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)(C)C1CCCN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-14(2,3)12-5-4-8-16(12)13(17)11-7-6-10(9-15)18-11;/h10-12H,4-9,15H2,1-3H3;1H/t10-,11+,12?;/m1./s1
InChIKeyUVDOVGJCKHRKGL-WCGHQRNMSA-N
MW290.84 g/mol
LogP1.95
Rot. Bonds2

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

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120791887) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120791887
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)(C)C1CCCN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-14(2,3)12-5-4-8-16(12)13(17)11-7-6-10(9-15)18-11;/h10-12H,4-9,15H2,1-3H3;1H/t10-,11+,12?;/m1./s1
InChIKeyUVDOVGJCKHRKGL-WCGHQRNMSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 120794811
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120796305
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 120785176
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120785269
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 120787268
[(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
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
[(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]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride (CID 120791887) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride is CC(C)(C)C1CCCN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is UVDOVGJCKHRKGL-WCGHQRNMSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-14(2,3)12-5-4-8-16(12)13(17)11-7-6-10(9-15)18-11;/h10-12H,4-9,15H2,1-3H3;1H/t10-,11+,12?;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.95, 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-tert-butylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120791887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).