[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone

C13H24N2O4 — CID 81203463

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H24N2O4/c1-2-3-14-12-9-18-8-11(12)13(17)15-4-5-19-10(6-15)7-16/h10-12,14,16H,2-9H2,1H3
InChIKeyGBFLWICZERNGIN-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.78
Rot. Bonds5

About [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone

[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 81203463) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID81203463
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H24N2O4/c1-2-3-14-12-9-18-8-11(12)13(17)15-4-5-19-10(6-15)7-16/h10-12,14,16H,2-9H2,1H3
InChIKeyGBFLWICZERNGIN-UHFFFAOYSA-N
XLogP-0.78
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone (CID 81203463) is [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is GBFLWICZERNGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-14-12-9-18-8-11(12)13(17)15-4-5-19-10(6-15)7-16/h10-12,14,16H,2-9H2,1H3.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone?
[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 272.34 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 81203463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).