(3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide

C11H22N2O3 — CID 118374681

IUPAC(3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide
SMILESCOC1CN(CC[C@@H](C)[C@@H](O)CC(N)=O)C1
InChIInChI=1S/C11H22N2O3/c1-8(10(14)5-11(12)15)3-4-13-6-9(7-13)16-2/h8-10,14H,3-7H2,1-2H3,(H2,12,15)/t8-,10+/m1/s1
InChIKeyUAZMHNXZNKTJKL-SCZZXKLOSA-N
MW230.31 g/mol
LogP-0.42
Rot. Bonds7

About (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide

(3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide (PubChem CID 118374681) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide
PubChem CID118374681
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide
SMILESCOC1CN(CC[C@@H](C)[C@@H](O)CC(N)=O)C1
InChIInChI=1S/C11H22N2O3/c1-8(10(14)5-11(12)15)3-4-13-6-9(7-13)16-2/h8-10,14H,3-7H2,1-2H3,(H2,12,15)/t8-,10+/m1/s1
InChIKeyUAZMHNXZNKTJKL-SCZZXKLOSA-N
XLogP-0.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide (CID 118374681) is (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide is COC1CN(CC[C@@H](C)[C@@H](O)CC(N)=O)C1.
What is the InChIKey of (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide?
The InChIKey is UAZMHNXZNKTJKL-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(10(14)5-11(12)15)3-4-13-6-9(7-13)16-2/h8-10,14H,3-7H2,1-2H3,(H2,12,15)/t8-,10+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide?
(3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide has a molecular weight of 230.31 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide is sourced from PubChem (CID 118374681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).