[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride

C13H25ClN2O3 — CID 120789745

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)[C@@H]2CC[C@H](CN)O2)CC(C)(C)O1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-9-7-15(8-13(2,3)18-9)12(16)11-5-4-10(6-14)17-11;/h9-11H,4-8,14H2,1-3H3;1H/t9?,10-,11+;/m1./s1
InChIKeyBQCFIOINVBZIHD-LLRQXEEASA-N
MW292.81 g/mol
LogP0.94
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 120789745) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
PubChem CID120789745
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)[C@@H]2CC[C@H](CN)O2)CC(C)(C)O1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-9-7-15(8-13(2,3)18-9)12(16)11-5-4-10(6-14)17-11;/h9-11H,4-8,14H2,1-3H3;1H/t9?,10-,11+;/m1./s1
InChIKeyBQCFIOINVBZIHD-LLRQXEEASA-N
XLogP0.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 120795296
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(1R,2R)-2-aminocyclopentyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124778662
[(1S,2S)-2-aminocyclopentyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124510962
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
[(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-ethylmorpholin-4-yl)methanone;hydrochloride
CID 120785589
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride (CID 120789745) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride is CC1CN(C(=O)[C@@H]2CC[C@H](CN)O2)CC(C)(C)O1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is BQCFIOINVBZIHD-LLRQXEEASA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-9-7-15(8-13(2,3)18-9)12(16)11-5-4-10(6-14)17-11;/h9-11H,4-8,14H2,1-3H3;1H/t9?,10-,11+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120789745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).