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

C13H21N3O5 — CID 82148136

IUPAC2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
SMILESCCC(C(=O)O)N1C(=O)NC2(CCN(CCO)CC2)C1=O
InChIInChI=1S/C13H21N3O5/c1-2-9(10(18)19)16-11(20)13(14-12(16)21)3-5-15(6-4-13)7-8-17/h9,17H,2-8H2,1H3,(H,14,21)(H,18,19)
InChIKeyBPKWFNMCYSTNPD-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.77
Rot. Bonds5

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

2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid (PubChem CID 82148136) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid.

Molecular Properties

Compound Name2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
PubChem CID82148136
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
SMILESCCC(C(=O)O)N1C(=O)NC2(CCN(CCO)CC2)C1=O
InChIInChI=1S/C13H21N3O5/c1-2-9(10(18)19)16-11(20)13(14-12(16)21)3-5-15(6-4-13)7-8-17/h9,17H,2-8H2,1H3,(H,14,21)(H,18,19)
InChIKeyBPKWFNMCYSTNPD-UHFFFAOYSA-N
XLogP-0.77
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic 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

3-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-2-methylpropanenitrile
CID 82148265
3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid
CID 82148087
4-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid
CID 82148983
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
CID 69108687
2-(8-hexyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 94752309
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
8-(2-hydroxyethyl)-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148600
3-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 82148098
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 82149052
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-3-methylbutanoic acid
CID 82149091

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid?
The IUPAC name of 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid (CID 82148136) is 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid.
What is the SMILES notation for 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid?
The canonical SMILES for 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid is CCC(C(=O)O)N1C(=O)NC2(CCN(CCO)CC2)C1=O.
What is the InChIKey of 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid?
The InChIKey is BPKWFNMCYSTNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-2-9(10(18)19)16-11(20)13(14-12(16)21)3-5-15(6-4-13)7-8-17/h9,17H,2-8H2,1H3,(H,14,21)(H,18,19).
What are the key properties of 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid?
2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid is sourced from PubChem (CID 82148136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).