2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone

C11H22N2O3 — CID 81202840

IUPAC2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-6-10(15)13-4-5-16-9(7-13)8-14/h9,12,14H,4-8H2,1-3H3
InChIKeyIHDSTXPJSLAAMZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.41
Rot. Bonds3

About 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone

2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 81202840) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID81202840
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-6-10(15)13-4-5-16-9(7-13)8-14/h9,12,14H,4-8H2,1-3H3
InChIKeyIHDSTXPJSLAAMZ-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
CID 78945675
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
CID 164818410
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 81209184
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81209103
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81202845

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 81202840) is 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is CC(C)(C)NCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is IHDSTXPJSLAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)12-6-10(15)13-4-5-16-9(7-13)8-14/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 230.31 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 81202840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).