4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid

C14H19NO4 — CID 55228407

IUPAC4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1oc(C)c(C(=O)N2CC(C)C(C(=O)O)C2)c1C
InChIInChI=1S/C14H19NO4/c1-7-5-15(6-11(7)14(17)18)13(16)12-8(2)9(3)19-10(12)4/h7,11H,5-6H2,1-4H3,(H,17,18)
InChIKeyIRYGVGPWEUYCGM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.00
Rot. Bonds2

About 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 55228407) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID55228407
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1oc(C)c(C(=O)N2CC(C)C(C(=O)O)C2)c1C
InChIInChI=1S/C14H19NO4/c1-7-5-15(6-11(7)14(17)18)13(16)12-8(2)9(3)19-10(12)4/h7,11H,5-6H2,1-4H3,(H,17,18)
InChIKeyIRYGVGPWEUYCGM-UHFFFAOYSA-N
XLogP2.00
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 79403129
(4-bromo-3-methylpiperidin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 114683229
1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81367808
(4-bromopiperidin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80661462
4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 114819005
(3S,4S)-4-methyl-1-(3,5,6-trimethylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112118
(3S,4S)-1-(6-bromo-4-methyl-2-oxochromene-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122112580
methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
CID 78926646
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228223
5-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-3-carboxylic acid
CID 146137403
(3S,4S)-1-(2-bromo-5-methylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 55228407) is 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1oc(C)c(C(=O)N2CC(C)C(C(=O)O)C2)c1C.
What is the InChIKey of 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IRYGVGPWEUYCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-7-5-15(6-11(7)14(17)18)13(16)12-8(2)9(3)19-10(12)4/h7,11H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55228407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).