(3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide

C12H24N2O3 — CID 118374596

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide
SMILESC[C@H](CCN1CCOC[C@H]1C)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H24N2O3/c1-9(11(15)7-12(13)16)3-4-14-5-6-17-8-10(14)2/h9-11,15H,3-8H2,1-2H3,(H2,13,16)/t9-,10-,11+/m1/s1
InChIKeyYWHWCGASLMBRIR-MXWKQRLJSA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide (PubChem CID 118374596) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide
PubChem CID118374596
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide
SMILESC[C@H](CCN1CCOC[C@H]1C)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H24N2O3/c1-9(11(15)7-12(13)16)3-4-14-5-6-17-8-10(14)2/h9-11,15H,3-8H2,1-2H3,(H2,13,16)/t9-,10-,11+/m1/s1
InChIKeyYWHWCGASLMBRIR-MXWKQRLJSA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide (CID 118374596) is (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide is C[C@H](CCN1CCOC[C@H]1C)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide?
The InChIKey is YWHWCGASLMBRIR-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(11(15)7-12(13)16)3-4-14-5-6-17-8-10(14)2/h9-11,15H,3-8H2,1-2H3,(H2,13,16)/t9-,10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide has a molecular weight of 244.33 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide is sourced from PubChem (CID 118374596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).