4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one

C14H20N2O3 — CID 152799530

IUPAC4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
SMILESNC[C@H](O)CCc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H20N2O3/c15-9-13(17)6-3-11-1-4-12(5-2-11)16-7-8-19-10-14(16)18/h1-2,4-5,13,17H,3,6-10,15H2/t13-/m1/s1
InChIKeySNCHSXXLSHGUFY-CYBMUJFWSA-N
MW264.32 g/mol
LogP0.30
Rot. Bonds5

About 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one

4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one (PubChem CID 152799530) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
PubChem CID152799530
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
SMILESNC[C@H](O)CCc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H20N2O3/c15-9-13(17)6-3-11-1-4-12(5-2-11)16-7-8-19-10-14(16)18/h1-2,4-5,13,17H,3,6-10,15H2/t13-/m1/s1
InChIKeySNCHSXXLSHGUFY-CYBMUJFWSA-N
XLogP0.30
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one (CID 152799530) is 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one is NC[C@H](O)CCc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one?
The InChIKey is SNCHSXXLSHGUFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-9-13(17)6-3-11-1-4-12(5-2-11)16-7-8-19-10-14(16)18/h1-2,4-5,13,17H,3,6-10,15H2/t13-/m1/s1.
What are the key properties of 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one?
4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one has a molecular weight of 264.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one is sourced from PubChem (CID 152799530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).