formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one

C20H29N3O6 — CID 166599048

IUPACformic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccc(CN2CCCC2)o1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.O=CO
InChIInChI=1S/C19H27N3O4.CH2O2/c23-16-6-11-22(13-19(16)7-3-8-20-18(19)25)17(24)15-5-4-14(26-15)12-21-9-1-2-10-21;2-1-3/h4-5,16,23H,1-3,6-13H2,(H,20,25);1H,(H,2,3)/t16-,19-;/m1./s1
InChIKeyNJBMRBAXLPWDFF-LJLRIERRSA-N
MW407.47 g/mol
LogP0.68
Rot. Bonds3

About formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one

formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 166599048) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Nameformic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID166599048
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Nameformic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccc(CN2CCCC2)o1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.O=CO
InChIInChI=1S/C19H27N3O4.CH2O2/c23-16-6-11-22(13-19(16)7-3-8-20-18(19)25)17(24)15-5-4-14(26-15)12-21-9-1-2-10-21;2-1-3/h4-5,16,23H,1-3,6-13H2,(H,20,25);1H,(H,2,3)/t16-,19-;/m1./s1
InChIKeyNJBMRBAXLPWDFF-LJLRIERRSA-N
XLogP0.68
TPSA123.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72850046
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
[4-(4-fluorophenoxy)piperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70729318
(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164694799
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164688259
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131897507
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 163309144
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 131947127

Frequently Asked Questions

What is the IUPAC name of formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 166599048) is formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one is O=C(c1ccc(CN2CCCC2)o1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.O=CO.
What is the InChIKey of formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is NJBMRBAXLPWDFF-LJLRIERRSA-N. The full InChI is InChI=1S/C19H27N3O4.CH2O2/c23-16-6-11-22(13-19(16)7-3-8-20-18(19)25)17(24)15-5-4-14(26-15)12-21-9-1-2-10-21;2-1-3/h4-5,16,23H,1-3,6-13H2,(H,20,25);1H,(H,2,3)/t16-,19-;/m1./s1.
What are the key properties of formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one?
formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 407.47 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 166599048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).