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

C20H28N2O4 — CID 70771766

IUPAC8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)oc1C
InChIInChI=1S/C20H28N2O4/c1-13-9-16(26-14(13)2)11-22-12-20(10-17(22)19(24)25)5-7-21(8-6-20)18(23)15-3-4-15/h9,15,17H,3-8,10-12H2,1-2H3,(H,24,25)
InChIKeyMIPHVHWTFOJVRS-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.57
Rot. Bonds4

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

8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70771766) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70771766
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)oc1C
InChIInChI=1S/C20H28N2O4/c1-13-9-16(26-14(13)2)11-22-12-20(10-17(22)19(24)25)5-7-21(8-6-20)18(23)15-3-4-15/h9,15,17H,3-8,10-12H2,1-2H3,(H,24,25)
InChIKeyMIPHVHWTFOJVRS-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

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70771766) is 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)oc1C.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is MIPHVHWTFOJVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-9-16(26-14(13)2)11-22-12-20(10-17(22)19(24)25)5-7-21(8-6-20)18(23)15-3-4-15/h9,15,17H,3-8,10-12H2,1-2H3,(H,24,25).
What are the key properties of 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(cyclopropanecarbonyl)-2-[(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 8-(cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70771766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).