(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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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).