(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride

C11H21ClN2O3 — CID 120792261

IUPAC(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCOC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-13(8-4-5-15-7-8)11(14)10-3-2-9(6-12)16-10;/h8-10H,2-7,12H2,1H3;1H/t8?,9-,10+;/m1./s1
InChIKeyOZOJLKANSHPILT-FAPGMENUSA-N
MW264.75 g/mol
LogP0.16
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120792261) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120792261
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCOC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-13(8-4-5-15-7-8)11(14)10-3-2-9(6-12)16-10;/h8-10H,2-7,12H2,1H3;1H/t8?,9-,10+;/m1./s1
InChIKeyOZOJLKANSHPILT-FAPGMENUSA-N
XLogP0.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
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(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
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(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
CID 120791383
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120784111
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120788095
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782647

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride (CID 120792261) is (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride is CN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCOC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is OZOJLKANSHPILT-FAPGMENUSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-13(8-4-5-15-7-8)11(14)10-3-2-9(6-12)16-10;/h8-10H,2-7,12H2,1H3;1H/t8?,9-,10+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).