5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid

C15H25N3O5 — CID 82149052

IUPAC5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
SMILESO=C(O)CCCCN1C(=O)NC2(CCN(CCCO)CC2)C1=O
InChIInChI=1S/C15H25N3O5/c19-11-3-7-17-9-5-15(6-10-17)13(22)18(14(23)16-15)8-2-1-4-12(20)21/h19H,1-11H2,(H,16,23)(H,20,21)
InChIKeyVNOXCRXHEKYOEP-UHFFFAOYSA-N
MW327.38 g/mol
LogP0.01
Rot. Bonds8

About 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid

5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid (PubChem CID 82149052) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
PubChem CID82149052
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
SMILESO=C(O)CCCCN1C(=O)NC2(CCN(CCCO)CC2)C1=O
InChIInChI=1S/C15H25N3O5/c19-11-3-7-17-9-5-15(6-10-17)13(22)18(14(23)16-15)8-2-1-4-12(20)21/h19H,1-11H2,(H,16,23)(H,20,21)
InChIKeyVNOXCRXHEKYOEP-UHFFFAOYSA-N
XLogP0.01
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic 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-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 82148098
4-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148990
4-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid
CID 82148983
4-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148992
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
2-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 82148335
2-[3-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-methylacetamide
CID 82148824
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
2-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethanethioamide
CID 82148934
2-(8-hexyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 94752309
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
3-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 94752427

Frequently Asked Questions

What is the IUPAC name of 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid?
The IUPAC name of 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid (CID 82149052) is 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid.
What is the SMILES notation for 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid?
The canonical SMILES for 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid is O=C(O)CCCCN1C(=O)NC2(CCN(CCCO)CC2)C1=O.
What is the InChIKey of 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid?
The InChIKey is VNOXCRXHEKYOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5/c19-11-3-7-17-9-5-15(6-10-17)13(22)18(14(23)16-15)8-2-1-4-12(20)21/h19H,1-11H2,(H,16,23)(H,20,21).
What are the key properties of 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid?
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid has a molecular weight of 327.38 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid is sourced from PubChem (CID 82149052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).