2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone

C9H17NO4 — CID 97040136

IUPAC2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCCOCC(=O)N1CCOC[C@@H]1CO
InChIInChI=1S/C9H17NO4/c1-2-13-7-9(12)10-3-4-14-6-8(10)5-11/h8,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyBXYHHIVRWCJUHA-QMMMGPOBSA-N
MW203.24 g/mol
LogP-0.76
Rot. Bonds4

About 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone

2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 97040136) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID97040136
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCCOCC(=O)N1CCOC[C@@H]1CO
InChIInChI=1S/C9H17NO4/c1-2-13-7-9(12)10-3-4-14-6-8(10)5-11/h8,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyBXYHHIVRWCJUHA-QMMMGPOBSA-N
XLogP-0.76
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone (CID 97040136) is 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone is CCOCC(=O)N1CCOC[C@@H]1CO.
What is the InChIKey of 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is BXYHHIVRWCJUHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-13-7-9(12)10-3-4-14-6-8(10)5-11/h8,11H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone?
2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 203.24 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(3S)-3-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97040136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).