methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate

C12H19N3O4 — CID 59093855

IUPACmethyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-8(9(16)19-2)7-15-10(17)12(14-11(15)18)3-5-13-6-4-12/h8,13H,3-7H2,1-2H3,(H,14,18)/t8-/m0/s1
InChIKeyGIRWLJOHCBXBSY-QMMMGPOBSA-N
MW269.30 g/mol
LogP-0.53
Rot. Bonds3

About methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate

methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate (PubChem CID 59093855) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
PubChem CID59093855
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Namemethyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-8(9(16)19-2)7-15-10(17)12(14-11(15)18)3-5-13-6-4-12/h8,13H,3-7H2,1-2H3,(H,14,18)/t8-/m0/s1
InChIKeyGIRWLJOHCBXBSY-QMMMGPOBSA-N
XLogP-0.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate 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

methyl 2-bromo-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 81091939
3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 82098515
3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931375
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
methyl (2R)-2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8653906
3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
CID 143811885
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide
CID 78989549
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64995551

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate (CID 59093855) is methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate is COC(=O)[C@@H](C)CN1C(=O)NC2(CCNCC2)C1=O.
What is the InChIKey of methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate?
The InChIKey is GIRWLJOHCBXBSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(9(16)19-2)7-15-10(17)12(14-11(15)18)3-5-13-6-4-12/h8,13H,3-7H2,1-2H3,(H,14,18)/t8-/m0/s1.
What are the key properties of methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate?
methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate has a molecular weight of 269.30 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate is sourced from PubChem (CID 59093855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).