(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one

C8H15NO3 — CID 10797303

IUPAC(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one
SMILESCOC1N[C@@H](C(C)C)COC1=O
InChIInChI=1S/C8H15NO3/c1-5(2)6-4-12-8(10)7(9-6)11-3/h5-7,9H,4H2,1-3H3/t6-,7?/m1/s1
InChIKeyNCTVKRRGVZMFGA-ULUSZKPHSA-N
MW173.21 g/mol
LogP0.13
Rot. Bonds2

About (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one

(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one (PubChem CID 10797303) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one.

Molecular Properties

Compound Name(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one
PubChem CID10797303
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one
SMILESCOC1N[C@@H](C(C)C)COC1=O
InChIInChI=1S/C8H15NO3/c1-5(2)6-4-12-8(10)7(9-6)11-3/h5-7,9H,4H2,1-3H3/t6-,7?/m1/s1
InChIKeyNCTVKRRGVZMFGA-ULUSZKPHSA-N
XLogP0.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
3-hydroxy-4-propan-2-yloxolan-2-one
CID 130147682
4-propan-2-yl-1,3-oxazolidine-2-thione
CID 3468453
(4S)-2,4-di(propan-2-yl)-1,3-oxazolidine
CID 22951232
3-chloro-4-methoxyoxolan-2-one
CID 139845813
2-cyclopenta-2,4-dien-1-ylidene-4-propan-2-yl-1,3-oxazolidine
CID 15368063
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
5-methoxy-1,3-oxazinan-2-one
CID 168972110
[(3R,5R)-5-propan-2-ylmorpholin-3-yl]methanol
CID 124653594
(5S,14S)-5,14-di(propan-2-yl)-3,16-dioxa-21,22-dithia-6,13-diazatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-2,7,12,17-tetrone
CID 11167500
3-(2-methylpropyl)oxetan-2-one
CID 23090013
4-amino-3-propan-2-yloxy-1,2-oxazolidin-5-one
CID 10419465

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one?
The IUPAC name of (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one (CID 10797303) is (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one.
What is the SMILES notation for (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one?
The canonical SMILES for (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one is COC1N[C@@H](C(C)C)COC1=O.
What is the InChIKey of (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one?
The InChIKey is NCTVKRRGVZMFGA-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)6-4-12-8(10)7(9-6)11-3/h5-7,9H,4H2,1-3H3/t6-,7?/m1/s1.
What are the key properties of (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one?
(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methoxy-5-propan-2-ylmorpholin-2-one is sourced from PubChem (CID 10797303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).