(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one

C9H18N2O2 — CID 78973108

IUPAC(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C9H18N2O2/c1-7(10)8(12)11-4-5-13-6-9(11,2)3/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKeyXWMMHWUXKKNWRZ-SSDOTTSWSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds1

About (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one

(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 78973108) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
PubChem CID78973108
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C9H18N2O2/c1-7(10)8(12)11-4-5-13-6-9(11,2)3/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKeyXWMMHWUXKKNWRZ-SSDOTTSWSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
CID 61430745
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
CID 79022791
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 61430245
2-amino-1-(3,3-dimethylmorpholin-4-yl)-5-methoxypentan-1-one
CID 81088420
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
2-chloro-1-(3,3-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 146095014
2-amino-1-(3,3-dimethylmorpholin-4-yl)-2-ethylbutan-1-one
CID 79813841
2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 126997899
1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one
CID 110313085
(2S)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-3-methylbutanamide
CID 82961533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one (CID 78973108) is (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one is C[C@@H](N)C(=O)N1CCOCC1(C)C.
What is the InChIKey of (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is XWMMHWUXKKNWRZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(10)8(12)11-4-5-13-6-9(11,2)3/h7H,4-6,10H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 78973108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).