4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H18N2O7 — CID 42820133

IUPAC4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCN(C(=O)c3ccco3)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C18H18N2O7/c21-15(13-3-1-9-25-13)19-7-5-18(6-8-19)20(12(11-27-18)17(23)24)16(22)14-4-2-10-26-14/h1-4,9-10,12H,5-8,11H2,(H,23,24)
InChIKeyYFAWADZBZHWAGX-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.43
Rot. Bonds3

About 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 42820133) has the molecular formula C18H18N2O7 and a molecular weight of 374.35 g/mol. Its IUPAC name is 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID42820133
Molecular FormulaC18H18N2O7
Molecular Weight374.35 g/mol
Exact Mass374.11
IUPAC Name4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCN(C(=O)c3ccco3)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C18H18N2O7/c21-15(13-3-1-9-25-13)19-7-5-18(6-8-19)20(12(11-27-18)17(23)24)16(22)14-4-2-10-26-14/h1-4,9-10,12H,5-8,11H2,(H,23,24)
InChIKeyYFAWADZBZHWAGX-UHFFFAOYSA-N
XLogP1.43
TPSA113.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360343
[8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956094
N-benzyl-8-(2,2-dimethylpropanoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71954888
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
(3R)-8-(furan-2-carbonyl)-4-(4-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478105
4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821086
(3S)-8-(3,4-dichlorobenzoyl)-4-(furan-2-carbonyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138229
8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821137
(3S)-N-[2-(dimethylamino)ethyl]-8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478180
(3R)-8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144534
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 42820133) is 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1COC2(CCN(C(=O)c3ccco3)CC2)N1C(=O)c1ccco1.
What is the InChIKey of 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is YFAWADZBZHWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O7/c21-15(13-3-1-9-25-13)19-7-5-18(6-8-19)20(12(11-27-18)17(23)24)16(22)14-4-2-10-26-14/h1-4,9-10,12H,5-8,11H2,(H,23,24).
What are the key properties of 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 374.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 42820133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).