2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide

C12H17N3O4 — CID 112599394

IUPAC2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C12H17N3O4/c1-7(8(13)16)15-10(18)12(5-3-2-4-6-12)9(17)14-11(15)19/h7H,2-6H2,1H3,(H2,13,16)(H,14,17,19)
InChIKeyYXOKUKRHXAEDEL-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.11
Rot. Bonds2

About 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide

2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide (PubChem CID 112599394) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide.

Molecular Properties

Compound Name2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
PubChem CID112599394
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C12H17N3O4/c1-7(8(13)16)15-10(18)12(5-3-2-4-6-12)9(17)14-11(15)19/h7H,2-6H2,1H3,(H2,13,16)(H,14,17,19)
InChIKeyYXOKUKRHXAEDEL-UHFFFAOYSA-N
XLogP-0.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948275
methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate
CID 115947447
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947250
2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
CID 112597783
9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948163
7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 114421008
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide?
The IUPAC name of 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide (CID 112599394) is 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide.
What is the SMILES notation for 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide?
The canonical SMILES for 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide is CC(C(N)=O)N1C(=O)NC(=O)C2(CCCCC2)C1=O.
What is the InChIKey of 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide?
The InChIKey is YXOKUKRHXAEDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(8(13)16)15-10(18)12(5-3-2-4-6-12)9(17)14-11(15)19/h7H,2-6H2,1H3,(H2,13,16)(H,14,17,19).
What are the key properties of 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide?
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide has a molecular weight of 267.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide is sourced from PubChem (CID 112599394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).