4-(3-aminobutyl)morpholine-3,5-dione

C8H14N2O3 — CID 61314093

IUPAC4-(3-aminobutyl)morpholine-3,5-dione
SMILESCC(N)CCN1C(=O)COCC1=O
InChIInChI=1S/C8H14N2O3/c1-6(9)2-3-10-7(11)4-13-5-8(10)12/h6H,2-5,9H2,1H3
InChIKeyNDYHUALWLZIPQG-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.89
Rot. Bonds3

About 4-(3-aminobutyl)morpholine-3,5-dione

4-(3-aminobutyl)morpholine-3,5-dione (PubChem CID 61314093) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(3-aminobutyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3-aminobutyl)morpholine-3,5-dione
PubChem CID61314093
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-(3-aminobutyl)morpholine-3,5-dione
SMILESCC(N)CCN1C(=O)COCC1=O
InChIInChI=1S/C8H14N2O3/c1-6(9)2-3-10-7(11)4-13-5-8(10)12/h6H,2-5,9H2,1H3
InChIKeyNDYHUALWLZIPQG-UHFFFAOYSA-N
XLogP-0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-aminobutyl)morpholine-3,5-dione 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 4-(3-aminobutyl)morpholine-3,5-dione?
The IUPAC name of 4-(3-aminobutyl)morpholine-3,5-dione (CID 61314093) is 4-(3-aminobutyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3-aminobutyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3-aminobutyl)morpholine-3,5-dione is CC(N)CCN1C(=O)COCC1=O.
What is the InChIKey of 4-(3-aminobutyl)morpholine-3,5-dione?
The InChIKey is NDYHUALWLZIPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(9)2-3-10-7(11)4-13-5-8(10)12/h6H,2-5,9H2,1H3.
What are the key properties of 4-(3-aminobutyl)morpholine-3,5-dione?
4-(3-aminobutyl)morpholine-3,5-dione has a molecular weight of 186.21 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutyl)morpholine-3,5-dione is sourced from PubChem (CID 61314093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).