(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C14H17NO4 — CID 129469595

IUPAC(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)co1
InChIInChI=1S/C14H17NO4/c1-9-6-10(8-19-9)12(16)15-4-2-14(3-5-15)7-11(14)13(17)18/h6,8,11H,2-5,7H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyWFOKQWYNFGWREX-NSHDSACASA-N
MW263.29 g/mol
LogP1.91
Rot. Bonds2

About (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 129469595) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID129469595
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)co1
InChIInChI=1S/C14H17NO4/c1-9-6-10(8-19-9)12(16)15-4-2-14(3-5-15)7-11(14)13(17)18/h6,8,11H,2-5,7H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyWFOKQWYNFGWREX-NSHDSACASA-N
XLogP1.91
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
6-(4-acetyl-1-methylpyrrole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136529
6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
6-(2,4-dimethylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174873
6-[3-(methylcarbamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514575
(2R)-6-(4-fluoro-2-methylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469820
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 114819005
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 129469595) is (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)co1.
What is the InChIKey of (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is WFOKQWYNFGWREX-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-6-10(8-19-9)12(16)15-4-2-14(3-5-15)7-11(14)13(17)18/h6,8,11H,2-5,7H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 129469595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).