[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

C11H21ClN2O4 — CID 120932154

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(CO)C1.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-8-10(12-2-4-16-8)11(15)13-3-5-17-9(6-13)7-14;/h8-10,12,14H,2-7H2,1H3;1H/t8-,9?,10+;/m1./s1
InChIKeyQTEHXAOMELKSBC-NKUWADJFSA-N
MW280.75 g/mol
LogP-1.00
Rot. Bonds2

About [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (PubChem CID 120932154) has the molecular formula C11H21ClN2O4 and a molecular weight of 280.75 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
PubChem CID120932154
Molecular FormulaC11H21ClN2O4
Molecular Weight280.75 g/mol
Exact Mass280.12
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(CO)C1.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-8-10(12-2-4-16-8)11(15)13-3-5-17-9(6-13)7-14;/h8-10,12,14H,2-7H2,1H3;1H/t8-,9?,10+;/m1./s1
InChIKeyQTEHXAOMELKSBC-NKUWADJFSA-N
XLogP-1.00
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

N-[[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]morpholin-2-yl]methyl]acetamide
CID 120933214
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120932229
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (CID 120932154) is [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCOC(CO)C1.Cl.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The InChIKey is QTEHXAOMELKSBC-NKUWADJFSA-N. The full InChI is InChI=1S/C11H20N2O4.ClH/c1-8-10(12-2-4-16-8)11(15)13-3-5-17-9(6-13)7-14;/h8-10,12,14H,2-7H2,1H3;1H/t8-,9?,10+;/m1./s1.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120932154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).