(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone

C14H20N2O2 — CID 129436950

IUPAC(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
SMILESC[C@@H]1OCCN(C(=O)[C@@H](N)c2ccccc2)[C@H]1C
InChIInChI=1S/C14H20N2O2/c1-10-11(2)18-9-8-16(10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10-,11-,13-/m0/s1
InChIKeyUUAVANWXXWCDMM-GVXVVHGQSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds2

About (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone

(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone (PubChem CID 129436950) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
PubChem CID129436950
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
SMILESC[C@@H]1OCCN(C(=O)[C@@H](N)c2ccccc2)[C@H]1C
InChIInChI=1S/C14H20N2O2/c1-10-11(2)18-9-8-16(10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10-,11-,13-/m0/s1
InChIKeyUUAVANWXXWCDMM-GVXVVHGQSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 119330766
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
(2S)-1-[(4aR,6R,8aS)-6-methoxy-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-amino-2-phenylethanone
CID 99852708
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
2-amino-1-(3-cyclopropylmorpholin-4-yl)-2-phenylethanone
CID 91660196
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
(2,3-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 110727739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone (CID 129436950) is (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone is C[C@@H]1OCCN(C(=O)[C@@H](N)c2ccccc2)[C@H]1C.
What is the InChIKey of (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone?
The InChIKey is UUAVANWXXWCDMM-GVXVVHGQSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-11(2)18-9-8-16(10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10-,11-,13-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone?
(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 129436950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).