[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone

C11H20N2O3 — CID 104901299

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC1COC(CO)CN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-8-7-16-9(6-14)5-13(8)11(15)10-3-2-4-12-10/h8-10,12,14H,2-7H2,1H3/t8?,9?,10-/m1/s1
InChIKeyHMPGYRVGHFXACD-UDNWOFFPSA-N
MW228.29 g/mol
LogP-0.65
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 104901299) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID104901299
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC1COC(CO)CN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-8-7-16-9(6-14)5-13(8)11(15)10-3-2-4-12-10/h8-10,12,14H,2-7H2,1H3/t8?,9?,10-/m1/s1
InChIKeyHMPGYRVGHFXACD-UDNWOFFPSA-N
XLogP-0.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone
CID 81203509
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 104901299) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone is CC1COC(CO)CN1C(=O)[C@H]1CCCN1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is HMPGYRVGHFXACD-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-7-16-9(6-14)5-13(8)11(15)10-3-2-4-12-10/h8-10,12,14H,2-7H2,1H3/t8?,9?,10-/m1/s1.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 228.29 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 104901299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).