4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid

C12H15NO4 — CID 114819005

IUPAC4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C)C(C(=O)O)C2)co1
InChIInChI=1S/C12H15NO4/c1-7-4-13(5-10(7)12(15)16)11(14)9-3-8(2)17-6-9/h3,6-7,10H,4-5H2,1-2H3,(H,15,16)
InChIKeyBRIXWHRNRGABNP-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.38
Rot. Bonds2

About 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 114819005) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID114819005
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C)C(C(=O)O)C2)co1
InChIInChI=1S/C12H15NO4/c1-7-4-13(5-10(7)12(15)16)11(14)9-3-8(2)17-6-9/h3,6-7,10H,4-5H2,1-2H3,(H,15,16)
InChIKeyBRIXWHRNRGABNP-UHFFFAOYSA-N
XLogP1.38
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81322982
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
1-(4-amino-3,5-dichlorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82832872
1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228223
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one
CID 114820820
(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(5-methylfuran-3-yl)methanone
CID 104978935
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
4-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55228407

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 114819005) is 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C)C(C(=O)O)C2)co1.
What is the InChIKey of 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BRIXWHRNRGABNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-4-13(5-10(7)12(15)16)11(14)9-3-8(2)17-6-9/h3,6-7,10H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114819005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).