3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one

C11H22N2O3 — CID 102932658

IUPAC3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
SMILESCCC(N)CC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H22N2O3/c1-3-9(12)4-11(15)13-5-8(2)16-10(6-13)7-14/h8-10,14H,3-7,12H2,1-2H3
InChIKeyOMCDVJSRNAFTAR-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.28
Rot. Bonds4

About 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one

3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one (PubChem CID 102932658) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
PubChem CID102932658
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
SMILESCCC(N)CC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H22N2O3/c1-3-9(12)4-11(15)13-5-8(2)16-10(6-13)7-14/h8-10,14H,3-7,12H2,1-2H3
InChIKeyOMCDVJSRNAFTAR-UHFFFAOYSA-N
XLogP-0.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one
CID 59102635
(2R,3S)-1-(4-aminopiperidin-1-yl)-2,3-dihydroxybutan-1-one
CID 66733742
(2R)-1-(4-aminopiperidin-1-yl)-2,3-dihydroxybutan-1-one
CID 68090986
(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane
CID 90901764
1-[4-[(2S)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one
CID 129178238
1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one
CID 129178239
1-[4-[2-(Hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one
CID 139421771
Ethane;1-[4-[2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]propan-1-one
CID 142427560
1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one
CID 145317223
3-amino-1-[(3R)-3-hydroxymorpholin-4-yl]butan-1-one;hydrochloride
CID 173547599
1-[4-[2-(2-Hydroxyethoxy)ethylamino]piperidin-1-yl]ethanone
CID 43223196
N-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]acetamide
CID 49523734

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The IUPAC name of 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one (CID 102932658) is 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one.
What is the SMILES notation for 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The canonical SMILES for 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one is CCC(N)CC(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The InChIKey is OMCDVJSRNAFTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-9(12)4-11(15)13-5-8(2)16-10(6-13)7-14/h8-10,14H,3-7,12H2,1-2H3.
What are the key properties of 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one is sourced from PubChem (CID 102932658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).