(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone

C15H22N2O3 — CID 104969794

IUPAC(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
SMILESCC1(C)CN(C(=O)[C@@H](N)c2ccccc2)CC(CO)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)10-17(8-12(9-18)20-15)14(19)13(16)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10,16H2,1-2H3/t12?,13-/m0/s1
InChIKeyYIYAKXPWCFYVMQ-ABLWVSNPSA-N
MW278.35 g/mol
LogP0.68
Rot. Bonds3

About (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone

(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone (PubChem CID 104969794) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
PubChem CID104969794
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
SMILESCC1(C)CN(C(=O)[C@@H](N)c2ccccc2)CC(CO)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)10-17(8-12(9-18)20-15)14(19)13(16)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10,16H2,1-2H3/t12?,13-/m0/s1
InChIKeyYIYAKXPWCFYVMQ-ABLWVSNPSA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
CID 114778645
2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 106591897
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
CID 114781963
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methylphenyl)sulfanylethanone
CID 114778930
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone
CID 119335411
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
CID 107036511
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone
CID 114778312
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778305
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone (CID 104969794) is (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone is CC1(C)CN(C(=O)[C@@H](N)c2ccccc2)CC(CO)O1.
What is the InChIKey of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
The InChIKey is YIYAKXPWCFYVMQ-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)10-17(8-12(9-18)20-15)14(19)13(16)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10,16H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone has a molecular weight of 278.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 104969794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).