1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone

C8H15NO4 — CID 81208943

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C8H15NO4/c1-12-6-8(11)9-2-3-13-7(4-9)5-10/h7,10H,2-6H2,1H3
InChIKeyMCKDHCLWSPRHOT-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.15
Rot. Bonds3

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone

1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone (PubChem CID 81208943) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
PubChem CID81208943
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C8H15NO4/c1-12-6-8(11)9-2-3-13-7(4-9)5-10/h7,10H,2-6H2,1H3
InChIKeyMCKDHCLWSPRHOT-UHFFFAOYSA-N
XLogP-1.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
CID 164818410
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 81197403
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone (CID 81208943) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone is COCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone?
The InChIKey is MCKDHCLWSPRHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-12-6-8(11)9-2-3-13-7(4-9)5-10/h7,10H,2-6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone has a molecular weight of 189.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone is sourced from PubChem (CID 81208943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).