8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

C15H19NO5 — CID 138029363

IUPAC8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCc1cc(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)co1
InChIInChI=1S/C15H19NO5/c1-9-4-10(8-20-9)13(17)16-12-2-3-21-15(7-12)5-11(6-15)14(18)19/h4,8,11-12H,2-3,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyLTDYOLQAFYZVPG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.73
Rot. Bonds3

About 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 138029363) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID138029363
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCc1cc(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)co1
InChIInChI=1S/C15H19NO5/c1-9-4-10(8-20-9)13(17)16-12-2-3-21-15(7-12)5-11(6-15)14(18)19/h4,8,11-12H,2-3,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyLTDYOLQAFYZVPG-UHFFFAOYSA-N
XLogP1.73
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 154782864
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
N-cyclopentyl-5-methylfuran-3-carboxamide
CID 114821678
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029372
8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029398
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
5-methyl-N-(3-methylcyclopentyl)furan-3-carboxamide
CID 114821709
8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029394
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (CID 138029363) is 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is Cc1cc(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)co1.
What is the InChIKey of 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is LTDYOLQAFYZVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-4-10(8-20-9)13(17)16-12-2-3-21-15(7-12)5-11(6-15)14(18)19/h4,8,11-12H,2-3,5-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 138029363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).