(5S)-5-amino-4-benzylmorpholin-3-one

C11H14N2O2 — CID 68600910

IUPAC(5S)-5-amino-4-benzylmorpholin-3-one
SMILESN[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C11H14N2O2/c12-10-7-15-8-11(14)13(10)6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2/t10-/m0/s1
InChIKeyHGFNIOFOWFXZDZ-JTQLQIEISA-N
MW206.25 g/mol
LogP0.33
Rot. Bonds2

About (5S)-5-amino-4-benzylmorpholin-3-one

(5S)-5-amino-4-benzylmorpholin-3-one (PubChem CID 68600910) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (5S)-5-amino-4-benzylmorpholin-3-one.

Molecular Properties

Compound Name(5S)-5-amino-4-benzylmorpholin-3-one
PubChem CID68600910
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(5S)-5-amino-4-benzylmorpholin-3-one
SMILESN[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C11H14N2O2/c12-10-7-15-8-11(14)13(10)6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2/t10-/m0/s1
InChIKeyHGFNIOFOWFXZDZ-JTQLQIEISA-N
XLogP0.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
CID 119411274
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one
CID 136581023
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119602840
4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one
CID 149035430

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-4-benzylmorpholin-3-one?
The IUPAC name of (5S)-5-amino-4-benzylmorpholin-3-one (CID 68600910) is (5S)-5-amino-4-benzylmorpholin-3-one.
What is the SMILES notation for (5S)-5-amino-4-benzylmorpholin-3-one?
The canonical SMILES for (5S)-5-amino-4-benzylmorpholin-3-one is N[C@@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-5-amino-4-benzylmorpholin-3-one?
The InChIKey is HGFNIOFOWFXZDZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10-7-15-8-11(14)13(10)6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2/t10-/m0/s1.
What are the key properties of (5S)-5-amino-4-benzylmorpholin-3-one?
(5S)-5-amino-4-benzylmorpholin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-4-benzylmorpholin-3-one is sourced from PubChem (CID 68600910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).