8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C10H16N4O3 — CID 54873032

IUPAC8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCNCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C10H16N4O3/c1-11-6-7(15)14-4-2-10(3-5-14)8(16)12-9(17)13-10/h11H,2-6H2,1H3,(H2,12,13,16,17)
InChIKeyLMLSCNRBSOIGQR-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.59
Rot. Bonds2

About 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 54873032) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID54873032
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCNCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C10H16N4O3/c1-11-6-7(15)14-4-2-10(3-5-14)8(16)12-9(17)13-10/h11H,2-6H2,1H3,(H2,12,13,16,17)
InChIKeyLMLSCNRBSOIGQR-UHFFFAOYSA-N
XLogP-1.59
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 54873032) is 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CNCC(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LMLSCNRBSOIGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-11-6-7(15)14-4-2-10(3-5-14)8(16)12-9(17)13-10/h11H,2-6H2,1H3,(H2,12,13,16,17).
What are the key properties of 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 54873032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).