3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid

C11H16N4O5 — CID 64894748

IUPAC3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H16N4O5/c12-6(5-7(16)17)8(18)15-3-1-11(2-4-15)9(19)13-10(20)14-11/h6H,1-5,12H2,(H,16,17)(H2,13,14,19,20)
InChIKeyATXHJLFKXZQINQ-UHFFFAOYSA-N
MW284.27 g/mol
LogP-2.01
Rot. Bonds3

About 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid

3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid (PubChem CID 64894748) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
PubChem CID64894748
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H16N4O5/c12-6(5-7(16)17)8(18)15-3-1-11(2-4-15)9(19)13-10(20)14-11/h6H,1-5,12H2,(H,16,17)(H2,13,14,19,20)
InChIKeyATXHJLFKXZQINQ-UHFFFAOYSA-N
XLogP-2.01
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid with MolForge

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Related Compounds

8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106113360
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95583523
3-amino-4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 64894985
7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 112692300
8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81171740
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid (CID 64894748) is 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid is NC(CC(=O)O)C(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid?
The InChIKey is ATXHJLFKXZQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c12-6(5-7(16)17)8(18)15-3-1-11(2-4-15)9(19)13-10(20)14-11/h6H,1-5,12H2,(H,16,17)(H2,13,14,19,20).
What are the key properties of 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid?
3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid has a molecular weight of 284.27 g/mol, XLogP of -2.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid is sourced from PubChem (CID 64894748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).