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

C15H21NO3S — CID 63720659

IUPAC4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCc1cc(C(=O)N2CC(C)C(C(=O)O)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-5-11-6-13(20-10(11)3)14(17)16-7-9(2)12(8-16)15(18)19/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyNDBXNKFIDXJYAA-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.80
Rot. Bonds4

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

4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63720659) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63720659
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCc1cc(C(=O)N2CC(C)C(C(=O)O)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-5-11-6-13(20-10(11)3)14(17)16-7-9(2)12(8-16)15(18)19/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyNDBXNKFIDXJYAA-UHFFFAOYSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 106671858
(3-hydroxyazetidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 63107136
2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681485
azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
CID 39959347
6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 122083821
6-(5-methyl-4-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175440
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
(3R,4R)-4-cyclopropyl-1-(4-ethyl-5-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978774
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433624
(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 106671501
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(5-methyl-4-propylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 33184971

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 63720659) is 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is CCCc1cc(C(=O)N2CC(C)C(C(=O)O)C2)sc1C.
What is the InChIKey of 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NDBXNKFIDXJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-4-5-11-6-13(20-10(11)3)14(17)16-7-9(2)12(8-16)15(18)19/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).