1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone

C12H24N2O3 — CID 164818410

IUPAC1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCO[C@@H](CNC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)13-7-10-8-14(5-6-17-10)11(15)9-16-4/h10,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyDJIVTYQLRVDEMN-JTQLQIEISA-N
MW244.33 g/mol
LogP0.25
Rot. Bonds4

About 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone

1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone (PubChem CID 164818410) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
PubChem CID164818410
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCO[C@@H](CNC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)13-7-10-8-14(5-6-17-10)11(15)9-16-4/h10,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyDJIVTYQLRVDEMN-JTQLQIEISA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone (CID 164818410) is 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone is COCC(=O)N1CCO[C@@H](CNC(C)(C)C)C1.
What is the InChIKey of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone?
The InChIKey is DJIVTYQLRVDEMN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)13-7-10-8-14(5-6-17-10)11(15)9-16-4/h10,13H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone?
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone has a molecular weight of 244.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone is sourced from PubChem (CID 164818410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).