1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone

C11H22N2O3 — CID 81202861

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C11H22N2O3/c1-3-4-12-5-11(15)13-6-10(7-14)16-8-9(13)2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyVPONUJQBFSKIMQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.41
Rot. Bonds5

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone (PubChem CID 81202861) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
PubChem CID81202861
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C11H22N2O3/c1-3-4-12-5-11(15)13-6-10(7-14)16-8-9(13)2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyVPONUJQBFSKIMQ-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone 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

2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
2-(2-aminocyclohexyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81213064
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 75394541
3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 81204807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone (CID 81202861) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone is CCCNCC(=O)N1CC(CO)OCC1C.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone?
The InChIKey is VPONUJQBFSKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-4-12-5-11(15)13-6-10(7-14)16-8-9(13)2/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone has a molecular weight of 230.31 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone is sourced from PubChem (CID 81202861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).