2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one

C9H18N2O2 — CID 106774483

IUPAC2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C9H18N2O2/c1-3-8(10)9(12)11-4-5-13-6-7(11)2/h7-8H,3-6,10H2,1-2H3/t7-,8?/m1/s1
InChIKeyCFMXCKDQEOBXRL-GVHYBUMESA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds2

About 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one

2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one (PubChem CID 106774483) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
PubChem CID106774483
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C9H18N2O2/c1-3-8(10)9(12)11-4-5-13-6-7(11)2/h7-8H,3-6,10H2,1-2H3/t7-,8?/m1/s1
InChIKeyCFMXCKDQEOBXRL-GVHYBUMESA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 106774307
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
(2R)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one;hydrochloride
CID 130757949
2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774384
2-amino-1-(3-methylmorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 113279808

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one (CID 106774483) is 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one is CCC(N)C(=O)N1CCOC[C@H]1C.
What is the InChIKey of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The InChIKey is CFMXCKDQEOBXRL-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(10)9(12)11-4-5-13-6-7(11)2/h7-8H,3-6,10H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 106774483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).