3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride

C10H21ClN2O2 — CID 120874141

IUPAC3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1C[C@@H](C)O[C@@H](C)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-7(11)4-10(13)12-5-8(2)14-9(3)6-12;/h7-9H,4-6,11H2,1-3H3;1H/t7?,8-,9+;
InChIKeyDOBSIJFROFHELL-QGGRMKRSSA-N
MW236.74 g/mol
LogP0.78
Rot. Bonds2

About 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride

3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride (PubChem CID 120874141) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
PubChem CID120874141
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1C[C@@H](C)O[C@@H](C)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-7(11)4-10(13)12-5-8(2)14-9(3)6-12;/h7-9H,4-6,11H2,1-3H3;1H/t7?,8-,9+;
InChIKeyDOBSIJFROFHELL-QGGRMKRSSA-N
XLogP0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119751436
3-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371606
1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-3-aminobutan-1-one;hydrochloride
CID 119803653
4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
CID 103156842
3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 119899615
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride (CID 120874141) is 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride is CC(N)CC(=O)N1C[C@@H](C)O[C@@H](C)C1.Cl.
What is the InChIKey of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride?
The InChIKey is DOBSIJFROFHELL-QGGRMKRSSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-7(11)4-10(13)12-5-8(2)14-9(3)6-12;/h7-9H,4-6,11H2,1-3H3;1H/t7?,8-,9+;.
What are the key properties of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride?
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 120874141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).