[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium

C13H19N2O2+ — CID 40562536

IUPAC[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2/p+1/t12-/m0/s1
InChIKeyNUAMZZJTBNPSTD-LBPRGKRZSA-O
MW235.31 g/mol
LogP-0.30
Rot. Bonds3

About [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium

[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 40562536) has the molecular formula C13H19N2O2+ and a molecular weight of 235.31 g/mol. Its IUPAC name is [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
PubChem CID40562536
Molecular FormulaC13H19N2O2+
Molecular Weight235.31 g/mol
Exact Mass235.14
IUPAC Name[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2/p+1/t12-/m0/s1
InChIKeyNUAMZZJTBNPSTD-LBPRGKRZSA-O
XLogP-0.30
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
2-[(2R)-1-[13-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 99655465
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
[(2S)-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-1-morpholin-4-yl-1-oxopropan-2-yl]azanium
CID 143421129
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 91162995
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
4-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]benzenesulfonic acid
CID 142671079

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium?
The IUPAC name of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium (CID 40562536) is [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium is [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium?
The InChIKey is NUAMZZJTBNPSTD-LBPRGKRZSA-O. The full InChI is InChI=1S/C13H18N2O2/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2/p+1/t12-/m0/s1.
What are the key properties of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium?
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium has a molecular weight of 235.31 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 40562536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).