3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid

C14H15N3O4 — CID 175842980

IUPAC3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)C1CC2(CN1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C14H15N3O4/c18-11(19)10-6-14(8-15-10)12(20)17(13(21)16-14)7-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,16,21)(H,18,19)
InChIKeyHGQWXXPMMOVDTA-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.08
Rot. Bonds3

About 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid

3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 175842980) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid
PubChem CID175842980
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)C1CC2(CN1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C14H15N3O4/c18-11(19)10-6-14(8-15-10)12(20)17(13(21)16-14)7-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,16,21)(H,18,19)
InChIKeyHGQWXXPMMOVDTA-UHFFFAOYSA-N
XLogP-0.08
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic 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

7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione
CID 167817067
(5S,8S)-1-benzyl-2,4-dioxo-3-phenyl-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid
CID 59052272
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-benzyl-9-(2-chlorobenzoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 87053905
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
3-benzyl-5,5-diethylimidazolidine-2,4-dione
CID 7181081
3-benzyl-8-(thiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278770
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid (CID 175842980) is 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid is O=C(O)C1CC2(CN1)NC(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is HGQWXXPMMOVDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-11(19)10-6-14(8-15-10)12(20)17(13(21)16-14)7-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,16,21)(H,18,19).
What are the key properties of 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid?
3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 175842980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).