4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one

C14H20N2O3 — CID 59515485

IUPAC4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
SMILESCC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-2-13(17)9-15-11-3-5-12(6-4-11)16-7-8-19-10-14(16)18/h3-6,13,15,17H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyHRUXKXYDGGFDOW-ZDUSSCGKSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds5

About 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one

4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one (PubChem CID 59515485) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
PubChem CID59515485
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
SMILESCC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-2-13(17)9-15-11-3-5-12(6-4-11)16-7-8-19-10-14(16)18/h3-6,13,15,17H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyHRUXKXYDGGFDOW-ZDUSSCGKSA-N
XLogP1.23
TPSA61.80 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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
4-[4-[[(2S)-4-(4-aminophenyl)-2-hydroxy-4,4-diphenylbutyl]amino]phenyl]morpholin-3-one
CID 123546223
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione;hydrofluoride
CID 161499223
[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate
CID 159322893
5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90258799
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 162184019

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one (CID 59515485) is 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one is CC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one?
The InChIKey is HRUXKXYDGGFDOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-13(17)9-15-11-3-5-12(6-4-11)16-7-8-19-10-14(16)18/h3-6,13,15,17H,2,7-10H2,1H3/t13-/m0/s1.
What are the key properties of 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one?
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one has a molecular weight of 264.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one is sourced from PubChem (CID 59515485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).