(3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide

C11H22N2O3 — CID 118374603

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide
SMILESC[C@H](CCN1CCOCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-9(10(14)8-11(12)15)2-3-13-4-6-16-7-5-13/h9-10,14H,2-8H2,1H3,(H2,12,15)/t9-,10+/m1/s1
InChIKeySJASXNHUBQKBPI-ZJUUUORDSA-N
MW230.31 g/mol
LogP-0.42
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide

(3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide (PubChem CID 118374603) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide
PubChem CID118374603
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide
SMILESC[C@H](CCN1CCOCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-9(10(14)8-11(12)15)2-3-13-4-6-16-7-5-13/h9-10,14H,2-8H2,1H3,(H2,12,15)/t9-,10+/m1/s1
InChIKeySJASXNHUBQKBPI-ZJUUUORDSA-N
XLogP-0.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.42
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-morpholin-4-ylhexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide (CID 118374603) is (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide is C[C@H](CCN1CCOCC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide?
The InChIKey is SJASXNHUBQKBPI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(10(14)8-11(12)15)2-3-13-4-6-16-7-5-13/h9-10,14H,2-8H2,1H3,(H2,12,15)/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide has a molecular weight of 230.31 g/mol, XLogP of -0.42, 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-morpholin-4-ylhexanamide is sourced from PubChem (CID 118374603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).