(6R)-2,6-bis(hydroxymethyl)morpholin-3-one

C6H11NO4 — CID 130818161

IUPAC(6R)-2,6-bis(hydroxymethyl)morpholin-3-one
SMILESO=C1NC[C@H](CO)OC1CO
InChIInChI=1S/C6H11NO4/c8-2-4-1-7-6(10)5(3-9)11-4/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5?/m1/s1
InChIKeyWIFZVGPJKCCOME-CNZKWPKMSA-N
MW161.16 g/mol
LogP-2.15
Rot. Bonds2

About (6R)-2,6-bis(hydroxymethyl)morpholin-3-one

(6R)-2,6-bis(hydroxymethyl)morpholin-3-one (PubChem CID 130818161) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (6R)-2,6-bis(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name(6R)-2,6-bis(hydroxymethyl)morpholin-3-one
PubChem CID130818161
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(6R)-2,6-bis(hydroxymethyl)morpholin-3-one
SMILESO=C1NC[C@H](CO)OC1CO
InChIInChI=1S/C6H11NO4/c8-2-4-1-7-6(10)5(3-9)11-4/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5?/m1/s1
InChIKeyWIFZVGPJKCCOME-CNZKWPKMSA-N
XLogP-2.15
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25214127
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(1R,5R,6S,7S,8R,12R,13S,14S)-6,7,13,14-tetrahydroxy-15,16-dioxa-3,10-diazatricyclo[10.2.1.15,8]hexadecane-2,9-dione
CID 11001653
(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174773838
(3R)-3-hydroxyazetidin-2-one
CID 97184618
(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
CID 119097386
3,6,9,12,15,18,21,24,27-nonakis(hydroxymethyl)-1,4,7,10,13,16,19,22,25-nonaoxacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
CID 140513854
4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one
CID 118203138
[(2R,5R,6S)-5,6-dimethylmorpholin-2-yl]methanol
CID 169228660
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
3-azabicyclo[3.1.1]heptan-2-one
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(2S)-2-(1H-imidazol-5-ylmethyl)-6-methylmorpholin-3-one
CID 59106715

Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-bis(hydroxymethyl)morpholin-3-one?
The IUPAC name of (6R)-2,6-bis(hydroxymethyl)morpholin-3-one (CID 130818161) is (6R)-2,6-bis(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for (6R)-2,6-bis(hydroxymethyl)morpholin-3-one?
The canonical SMILES for (6R)-2,6-bis(hydroxymethyl)morpholin-3-one is O=C1NC[C@H](CO)OC1CO.
What is the InChIKey of (6R)-2,6-bis(hydroxymethyl)morpholin-3-one?
The InChIKey is WIFZVGPJKCCOME-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H11NO4/c8-2-4-1-7-6(10)5(3-9)11-4/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5?/m1/s1.
What are the key properties of (6R)-2,6-bis(hydroxymethyl)morpholin-3-one?
(6R)-2,6-bis(hydroxymethyl)morpholin-3-one has a molecular weight of 161.16 g/mol, XLogP of -2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-bis(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 130818161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).