3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C10H17N3O4 — CID 18931375

IUPAC3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCNCC2)C(=O)N1CC(O)CO
InChIInChI=1S/C10H17N3O4/c14-6-7(15)5-13-8(16)10(12-9(13)17)1-3-11-4-2-10/h7,11,14-15H,1-6H2,(H,12,17)
InChIKeyAYLLZYHNZACYKU-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.99
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 18931375) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID18931375
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCNCC2)C(=O)N1CC(O)CO
InChIInChI=1S/C10H17N3O4/c14-6-7(15)5-13-8(16)10(12-9(13)17)1-3-11-4-2-10/h7,11,14-15H,1-6H2,(H,12,17)
InChIKeyAYLLZYHNZACYKU-UHFFFAOYSA-N
XLogP-1.99
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103736328
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051
methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
CID 59093855
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 95582367
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 18931375) is 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCNCC2)C(=O)N1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AYLLZYHNZACYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c14-6-7(15)5-13-8(16)10(12-9(13)17)1-3-11-4-2-10/h7,11,14-15H,1-6H2,(H,12,17).
What are the key properties of 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 243.26 g/mol, XLogP of -1.99, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18931375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).