1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone

C11H22N2O2 — CID 162424231

IUPAC1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC[C@H]1CNC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(14)13-5-6-15-8-10(13)7-12-11(2,3)4/h10,12H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyGMSIPIAAHQLKQZ-SNVBAGLBSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds2

About 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone

1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone (PubChem CID 162424231) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone
PubChem CID162424231
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC[C@H]1CNC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(14)13-5-6-15-8-10(13)7-12-11(2,3)4/h10,12H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyGMSIPIAAHQLKQZ-SNVBAGLBSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 139553526
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901
2,2-dimethyl-1-[(3S)-3-(2-oxopropyl)morpholin-4-yl]propan-1-one
CID 135302141
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
1-(3-iodomorpholin-4-yl)ethanone
CID 140998826
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone (CID 162424231) is 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC[C@H]1CNC(C)(C)C.
What is the InChIKey of 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone?
The InChIKey is GMSIPIAAHQLKQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(14)13-5-6-15-8-10(13)7-12-11(2,3)4/h10,12H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone?
1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 162424231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).