(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one

C12H24N2O2 — CID 61153898

IUPAC(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
SMILESCC1(C)CN(C(=O)[C@@H](N)C(C)(C)C)CCO1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)9(13)10(15)14-6-7-16-12(4,5)8-14/h9H,6-8,13H2,1-5H3/t9-/m1/s1
InChIKeySAVCHSZAAROLCV-SECBINFHSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds1

About (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one (PubChem CID 61153898) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
PubChem CID61153898
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
SMILESCC1(C)CN(C(=O)[C@@H](N)C(C)(C)C)CCO1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)9(13)10(15)14-6-7-16-12(4,5)8-14/h9H,6-8,13H2,1-5H3/t9-/m1/s1
InChIKeySAVCHSZAAROLCV-SECBINFHSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
2-bromo-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 107903459
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride
CID 119732395
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119294273
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
CID 104683727
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353177
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61202575
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103732773
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 61156306
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one (CID 61153898) is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one is CC1(C)CN(C(=O)[C@@H](N)C(C)(C)C)CCO1.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one?
The InChIKey is SAVCHSZAAROLCV-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)9(13)10(15)14-6-7-16-12(4,5)8-14/h9H,6-8,13H2,1-5H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one?
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 61153898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).