formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H27N5O6 — CID 171322569

IUPACformic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CCO)C(=O)C12CCN(C(=O)c1cnc[nH]1)CC2.O=CO
InChIInChI=1S/C17H25N5O4.CH2O2/c1-12(2)10-22-16(26)21(7-8-23)15(25)17(22)3-5-20(6-4-17)14(24)13-9-18-11-19-13;2-1-3/h9,11-12,23H,3-8,10H2,1-2H3,(H,18,19);1H,(H,2,3)
InChIKeyYYYUUGTUADVXLE-UHFFFAOYSA-N
MW409.44 g/mol
LogP-0.00
Rot. Bonds5

About formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 171322569) has the molecular formula C18H27N5O6 and a molecular weight of 409.44 g/mol. Its IUPAC name is formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Nameformic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID171322569
Molecular FormulaC18H27N5O6
Molecular Weight409.44 g/mol
Exact Mass409.20
IUPAC Nameformic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CCO)C(=O)C12CCN(C(=O)c1cnc[nH]1)CC2.O=CO
InChIInChI=1S/C17H25N5O4.CH2O2/c1-12(2)10-22-16(26)21(7-8-23)15(25)17(22)3-5-20(6-4-17)14(24)13-9-18-11-19-13;2-1-3/h9,11-12,23H,3-8,10H2,1-2H3,(H,18,19);1H,(H,2,3)
InChIKeyYYYUUGTUADVXLE-UHFFFAOYSA-N
XLogP-0.00
TPSA147.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxypropyl)-8-(5-methyl-1,2-oxazole-3-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613177
8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615547
acetic acid;3-methyl-1-(2-methylpropyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 171322572
3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616059
3-(2-hydroxyethyl)-1-(2-methylpropyl)-8-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166614281
3-ethyl-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;formic acid
CID 171322598
8-(4-methylbenzoyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166621081
3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623583
3-methyl-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428440
3-ethyl-8-(2-hydroxy-4-methoxybenzoyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623046
3-(cyclobutylmethyl)-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616411
8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride
CID 171322268

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 171322569) is formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(CCO)C(=O)C12CCN(C(=O)c1cnc[nH]1)CC2.O=CO.
What is the InChIKey of formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YYYUUGTUADVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4.CH2O2/c1-12(2)10-22-16(26)21(7-8-23)15(25)17(22)3-5-20(6-4-17)14(24)13-9-18-11-19-13;2-1-3/h9,11-12,23H,3-8,10H2,1-2H3,(H,18,19);1H,(H,2,3).
What are the key properties of formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 409.44 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 171322569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).