1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one

C10H19NO6 — CID 166327594

IUPAC1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one
SMILESCC(O)(CO)C(=O)N1C[C@@H](CO)O[C@@H](CO)C1
InChIInChI=1S/C10H19NO6/c1-10(16,6-14)9(15)11-2-7(4-12)17-8(3-11)5-13/h7-8,12-14,16H,2-6H2,1H3/t7-,8+,10?
InChIKeySCHOIJIFHRVALC-JWHQNHQBSA-N
MW249.26 g/mol
LogP-2.69
Rot. Bonds4

About 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one

1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one (PubChem CID 166327594) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one
PubChem CID166327594
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one
SMILESCC(O)(CO)C(=O)N1C[C@@H](CO)O[C@@H](CO)C1
InChIInChI=1S/C10H19NO6/c1-10(16,6-14)9(15)11-2-7(4-12)17-8(3-11)5-13/h7-8,12-14,16H,2-6H2,1H3/t7-,8+,10?
InChIKeySCHOIJIFHRVALC-JWHQNHQBSA-N
XLogP-2.69
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one with MolForge

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Related Compounds

tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
[6-(hydroxymethyl)-4-methylmorpholin-2-yl]methanol
CID 20677770
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one
CID 98775795
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile
CID 102932751
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
tert-butyl (2S,6R)-2-(hydroxymethyl)-6-propan-2-ylmorpholine-4-carboxylate
CID 169228635
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 102932285
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 114776678
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one (CID 166327594) is 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one is CC(O)(CO)C(=O)N1C[C@@H](CO)O[C@@H](CO)C1.
What is the InChIKey of 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one?
The InChIKey is SCHOIJIFHRVALC-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H19NO6/c1-10(16,6-14)9(15)11-2-7(4-12)17-8(3-11)5-13/h7-8,12-14,16H,2-6H2,1H3/t7-,8+,10?.
What are the key properties of 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one?
1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one has a molecular weight of 249.26 g/mol, XLogP of -2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one is sourced from PubChem (CID 166327594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).