4-(1-aminopentan-3-yl)morpholine-3,5-dione

C9H16N2O3 — CID 61312119

IUPAC4-(1-aminopentan-3-yl)morpholine-3,5-dione
SMILESCCC(CCN)N1C(=O)COCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-7(3-4-10)11-8(12)5-14-6-9(11)13/h7H,2-6,10H2,1H3
InChIKeyWWLUZASPNXCPKG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.50
Rot. Bonds4

About 4-(1-aminopentan-3-yl)morpholine-3,5-dione

4-(1-aminopentan-3-yl)morpholine-3,5-dione (PubChem CID 61312119) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)morpholine-3,5-dione
PubChem CID61312119
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-(1-aminopentan-3-yl)morpholine-3,5-dione
SMILESCCC(CCN)N1C(=O)COCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-7(3-4-10)11-8(12)5-14-6-9(11)13/h7H,2-6,10H2,1H3
InChIKeyWWLUZASPNXCPKG-UHFFFAOYSA-N
XLogP-0.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)morpholine-3,5-dione?
The IUPAC name of 4-(1-aminopentan-3-yl)morpholine-3,5-dione (CID 61312119) is 4-(1-aminopentan-3-yl)morpholine-3,5-dione.
What is the SMILES notation for 4-(1-aminopentan-3-yl)morpholine-3,5-dione?
The canonical SMILES for 4-(1-aminopentan-3-yl)morpholine-3,5-dione is CCC(CCN)N1C(=O)COCC1=O.
What is the InChIKey of 4-(1-aminopentan-3-yl)morpholine-3,5-dione?
The InChIKey is WWLUZASPNXCPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-7(3-4-10)11-8(12)5-14-6-9(11)13/h7H,2-6,10H2,1H3.
What are the key properties of 4-(1-aminopentan-3-yl)morpholine-3,5-dione?
4-(1-aminopentan-3-yl)morpholine-3,5-dione has a molecular weight of 200.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-3-yl)morpholine-3,5-dione is sourced from PubChem (CID 61312119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).