(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one

C7H13NO3 — CID 45086724

IUPAC(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
SMILESC[C@@H]1N[C@](C)(CO)COC1=O
InChIInChI=1S/C7H13NO3/c1-5-6(10)11-4-7(2,3-9)8-5/h5,8-9H,3-4H2,1-2H3/t5-,7+/m0/s1
InChIKeyLJAQOUYVXODSQO-CAHLUQPWSA-N
MW159.18 g/mol
LogP-0.73
Rot. Bonds1

About (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one

(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one (PubChem CID 45086724) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one.

Molecular Properties

Compound Name(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
PubChem CID45086724
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
SMILESC[C@@H]1N[C@](C)(CO)COC1=O
InChIInChI=1S/C7H13NO3/c1-5-6(10)11-4-7(2,3-9)8-5/h5,8-9H,3-4H2,1-2H3/t5-,7+/m0/s1
InChIKeyLJAQOUYVXODSQO-CAHLUQPWSA-N
XLogP-0.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
CID 93234204
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
CID 10820550
2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 160845972
3-hydroxy-4,4-bis(hydroxymethyl)oxolan-2-one
CID 11137448
ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol
CID 143466094
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
CID 86665538
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202
3-amino-4,4-dimethyloxolan-2-one
CID 13247950
3,5-dimethyl-5-propyloxan-2-one
CID 89207974
3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate
CID 70168376
(2-tert-butyl-2,4-dimethyl-1,3-oxazolidin-4-yl)methanol
CID 67784418

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one?
The IUPAC name of (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one (CID 45086724) is (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one.
What is the SMILES notation for (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one?
The canonical SMILES for (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one is C[C@@H]1N[C@](C)(CO)COC1=O.
What is the InChIKey of (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one?
The InChIKey is LJAQOUYVXODSQO-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-6(10)11-4-7(2,3-9)8-5/h5,8-9H,3-4H2,1-2H3/t5-,7+/m0/s1.
What are the key properties of (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one?
(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one has a molecular weight of 159.18 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one is sourced from PubChem (CID 45086724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).