2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H28N2O4 — CID 56891705

IUPAC2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(CN2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)oc1C
InChIInChI=1S/C20H28N2O4/c1-13-9-16(26-14(13)2)11-21-7-5-20(6-8-21)10-17(19(24)25)22(12-20)18(23)15-3-4-15/h9,15,17H,3-8,10-12H2,1-2H3,(H,24,25)
InChIKeyLHKNVLMRZFPUKU-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.57
Rot. Bonds4

About 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56891705) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56891705
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(CN2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)oc1C
InChIInChI=1S/C20H28N2O4/c1-13-9-16(26-14(13)2)11-21-7-5-20(6-8-21)10-17(19(24)25)22(12-20)18(23)15-3-4-15/h9,15,17H,3-8,10-12H2,1-2H3,(H,24,25)
InChIKeyLHKNVLMRZFPUKU-UHFFFAOYSA-N
XLogP2.57
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

1-(5-tert-Butyl-2-methyl-furan-3-carbonyl)-pyrrolidine-2-carboxylic acid
CID 596574
1-[(3-Methylfuran-2-yl)carbonyl]piperidine-2-carboxylic acid
CID 3150890
[1-[1-[(5-Ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 24817753
8-(Cyclopropylcarbonyl)-2-[(5-methyl-2-furyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56902533
8-(Cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70771766
2-{3-Oxo-9-[(5-propyl-2-furyl)methyl]-2,9-diazaspiro[5.5]undec-2-yl}propanoic acid
CID 70771969
1-{5-[(Diethylamino)methyl]-2-methyl-3-furoyl}-3-ethyl-3-piperidinecarboxylic acid
CID 72848261
(5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471668
2-Methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 97493543
1-[(4aR,7aR)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 97508747
2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 118739075
[3-(Methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 118743271

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56891705) is 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(CN2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)oc1C.
What is the InChIKey of 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is LHKNVLMRZFPUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-9-16(26-14(13)2)11-21-7-5-20(6-8-21)10-17(19(24)25)22(12-20)18(23)15-3-4-15/h9,15,17H,3-8,10-12H2,1-2H3,(H,24,25).
What are the key properties of 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-8-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56891705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).