4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid

C15H22N2O4 — CID 77005756

IUPAC4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1C(=O)NC2(C1=O)C(C)CCCC2C
InChIInChI=1S/C15H22N2O4/c1-9(7-12(18)19)8-17-13(20)15(16-14(17)21)10(2)5-4-6-11(15)3/h7,10-11H,4-6,8H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyZGCXDJIVTWNFFD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.76
Rot. Bonds3

About 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid

4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid (PubChem CID 77005756) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid
PubChem CID77005756
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1C(=O)NC2(C1=O)C(C)CCCC2C
InChIInChI=1S/C15H22N2O4/c1-9(7-12(18)19)8-17-13(20)15(16-14(17)21)10(2)5-4-6-11(15)3/h7,10-11H,4-6,8H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyZGCXDJIVTWNFFD-UHFFFAOYSA-N
XLogP1.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31700734
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbut-2-enoic acid
CID 104967856
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 98856515
ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 42944857
(5R,6R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11892777
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46567158
(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31818101
3-methyl-4-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)but-2-enoic acid
CID 79091888
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7565636
3-methyl-4-(2-methyl-3-oxopiperazin-1-yl)but-2-enoic acid
CID 77006338
4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid
CID 77006059

Frequently Asked Questions

What is the IUPAC name of 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid (CID 77005756) is 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid is CC(=CC(=O)O)CN1C(=O)NC2(C1=O)C(C)CCCC2C.
What is the InChIKey of 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid?
The InChIKey is ZGCXDJIVTWNFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(7-12(18)19)8-17-13(20)15(16-14(17)21)10(2)5-4-6-11(15)3/h7,10-11H,4-6,8H2,1-3H3,(H,16,21)(H,18,19).
What are the key properties of 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid?
4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methylbut-2-enoic acid is sourced from PubChem (CID 77005756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).