(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one

C13H25NO3 — CID 139039179

IUPAC(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one
SMILESCC(C)C[C@](C)(O)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-10(2)9-13(4,16)11(3)12(15)14-5-7-17-8-6-14/h10-11,16H,5-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyRXKSKXPSQXWPCV-AAEUAGOBSA-N
MW243.35 g/mol
LogP1.28
Rot. Bonds4

About (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one

(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one (PubChem CID 139039179) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one
PubChem CID139039179
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one
SMILESCC(C)C[C@](C)(O)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-10(2)9-13(4,16)11(3)12(15)14-5-7-17-8-6-14/h10-11,16H,5-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyRXKSKXPSQXWPCV-AAEUAGOBSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one?
The IUPAC name of (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one (CID 139039179) is (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one is CC(C)C[C@](C)(O)[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one?
The InChIKey is RXKSKXPSQXWPCV-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)9-13(4,16)11(3)12(15)14-5-7-17-8-6-14/h10-11,16H,5-9H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one?
(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one has a molecular weight of 243.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 139039179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).