(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one

C14H20N2O2 — CID 104984760

IUPAC(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one
SMILESN[C@@H](CCc1ccccc1)C(=O)N1CCCCO1
InChIInChI=1S/C14H20N2O2/c15-13(9-8-12-6-2-1-3-7-12)14(17)16-10-4-5-11-18-16/h1-3,6-7,13H,4-5,8-11,15H2/t13-/m0/s1
InChIKeyVBIATVLXSFHVKT-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds4

About (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one

(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one (PubChem CID 104984760) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one
PubChem CID104984760
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one
SMILESN[C@@H](CCc1ccccc1)C(=O)N1CCCCO1
InChIInChI=1S/C14H20N2O2/c15-13(9-8-12-6-2-1-3-7-12)14(17)16-10-4-5-11-18-16/h1-3,6-7,13H,4-5,8-11,15H2/t13-/m0/s1
InChIKeyVBIATVLXSFHVKT-ZDUSSCGKSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
CID 104984557
1-(oxazinan-2-yl)-4-phenylbutan-1-one
CID 113375900
[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate
CID 89428474
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
CID 104984736
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
(2S)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-phenylbutan-1-one
CID 104984918
2-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 114928192
(2S)-2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217869
(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107218083

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one (CID 104984760) is (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one is N[C@@H](CCc1ccccc1)C(=O)N1CCCCO1.
What is the InChIKey of (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one?
The InChIKey is VBIATVLXSFHVKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(9-8-12-6-2-1-3-7-12)14(17)16-10-4-5-11-18-16/h1-3,6-7,13H,4-5,8-11,15H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one?
(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 104984760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).