2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate

C9H17NO5 — CID 102938985

IUPAC2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
SMILESCC1CN(C(=O)OCCO)CC(CO)O1
InChIInChI=1S/C9H17NO5/c1-7-4-10(5-8(6-12)15-7)9(13)14-3-2-11/h7-8,11-12H,2-6H2,1H3
InChIKeyJIBRNDGZIVJDIU-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.80
Rot. Bonds3

About 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate

2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate (PubChem CID 102938985) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
PubChem CID102938985
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
SMILESCC1CN(C(=O)OCCO)CC(CO)O1
InChIInChI=1S/C9H17NO5/c1-7-4-10(5-8(6-12)15-7)9(13)14-3-2-11/h7-8,11-12H,2-6H2,1H3
InChIKeyJIBRNDGZIVJDIU-UHFFFAOYSA-N
XLogP-0.80
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
2-(hydroxymethyl)-6-methylmorpholine-4-carboximidamide
CID 102936516
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one
CID 102934680
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
The IUPAC name of 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate (CID 102938985) is 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate is CC1CN(C(=O)OCCO)CC(CO)O1.
What is the InChIKey of 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
The InChIKey is JIBRNDGZIVJDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-7-4-10(5-8(6-12)15-7)9(13)14-3-2-11/h7-8,11-12H,2-6H2,1H3.
What are the key properties of 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate has a molecular weight of 219.24 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate is sourced from PubChem (CID 102938985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).