(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C15H19NO5 — CID 129467286

IUPAC(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOCc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)o1
InChIInChI=1S/C15H19NO5/c1-20-9-10-2-3-12(21-10)13(17)16-6-4-15(5-7-16)8-11(15)14(18)19/h2-3,11H,4-9H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyZDXJVWNCYSTKSO-NSHDSACASA-N
MW293.32 g/mol
LogP1.75
Rot. Bonds4

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

(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 129467286) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID129467286
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOCc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)o1
InChIInChI=1S/C15H19NO5/c1-20-9-10-2-3-12(21-10)13(17)16-6-4-15(5-7-16)8-11(15)14(18)19/h2-3,11H,4-9H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyZDXJVWNCYSTKSO-NSHDSACASA-N
XLogP1.75
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175089
(2S)-6-[5-(methoxymethyl)furan-2-carbonyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382729
1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 78852997
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 72871979
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone;hydrochloride
CID 120658032
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(methoxymethyl)furan-2-yl]methanone
CID 119635590
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 78882516
N-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 78867540
(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107176714

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 129467286) is (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is COCc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)o1.
What is the InChIKey of (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is ZDXJVWNCYSTKSO-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-9-10-2-3-12(21-10)13(17)16-6-4-15(5-7-16)8-11(15)14(18)19/h2-3,11H,4-9H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 129467286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).