(3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione

C15H19NO3 — CID 10038289

IUPAC(3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13+/m0/s1
InChIKeyYOKBTBNVNCFOBF-QWHCGFSZSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds3

About (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione

(3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione (PubChem CID 10038289) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name(3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
PubChem CID10038289
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13+/m0/s1
InChIKeyYOKBTBNVNCFOBF-QWHCGFSZSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione?
The IUPAC name of (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione (CID 10038289) is (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione?
The canonical SMILES for (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione is CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C1=O.
What is the InChIKey of (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione?
The InChIKey is YOKBTBNVNCFOBF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione?
(3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 10038289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).