5-tert-Butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid

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Basic information

CAS: 435341-86-9
Standard SMILES: Cc1oc(C(C)(C)C)c(CN2CCCC2)c1C(=O)O
InChIKey: CNSVDEJTMAQHQU-UHFFFAOYSA-N
Molecular formula: C15H23NO3
Average molar mass: 265.35 g/mol
Monoisotopic mass: 265.1677936

Names & identifiers

Preferred name: 5-tert-Butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
IUPAC: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
English name: 5-tert-Butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
Molecular formula: C15H23NO3
Molecular weight: 265.35

Names & synonyms

435341-86-95-tert-Butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid5-tert-butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid5-(tert-Butyl)-2-methyl-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid5-tert-butyl-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-3-furancarboxylateBAS 052388585-TERT-BUTYL-2-METHYL-4-PYRROLIDIN-1-YLMETHYL-FURAN-3-CARBOXYLIC ACID HYDROCHLORIDE5-tert-Butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acidCHEMBL1619438DTXSID20349403HMS1704B215-tert-butyl-2-methyl-4-pyrrolidin-1-ylmethylfuran-3-carboxylic acid

Show more names

5-tert-Butyl-2-methyl-4-pyrrolidin-1-ylmethyl-

AKOS000300809SB61511DB-051097ST500213515-(tert-Butyl)-2-methyl-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylicacid5-(tert-butyl)-2-methyl-4-(pyrrolidinylmethyl)furan-3-carboxylic acid5-tert-Butyl-2-methyl-4-[(pyrrolidin-1-yl)methyl]furan-3-carboxylic acid3-Furancarboxylicacid,5-(1,1-dimethylethyl)-2-methyl-4-(1-pyrrolidinylmethyl)-,hydrochloride(1:1)

Database identifiers

CAS: 435341-86-9
PubChem CID: 645233
DTXSID: DTXSID20349403
ChEMBL: CHEMBL1619438

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 331

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Compound notes

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