1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H19NO3S — CID 106982644

IUPAC1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H19NO3S/c1-9(2)14(13(17)18)5-6-15(8-14)12(16)11-10(3)4-7-19-11/h4,7,9H,5-6,8H2,1-3H3,(H,17,18)
InChIKeyLAMAYBAYJLDOTR-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.63
Rot. Bonds3

About 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106982644) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106982644
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H19NO3S/c1-9(2)14(13(17)18)5-6-15(8-14)12(16)11-10(3)4-7-19-11/h4,7,9H,5-6,8H2,1-3H3,(H,17,18)
InChIKeyLAMAYBAYJLDOTR-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146685
1-[(3-methylthiophen-2-yl)methylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983964
1-(4-bromobenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982637
1-(4-methoxybenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982451
1-(2,3-dihydroxybenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982809
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
1-[methyl(thiophen-2-ylmethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983696
1-(2-ethylbenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982531
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone
CID 71856535
1-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984782
1-(6-bromopyridine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982519
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106982644) is 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is Cc1ccsc1C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is LAMAYBAYJLDOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9(2)14(13(17)18)5-6-15(8-14)12(16)11-10(3)4-7-19-11/h4,7,9H,5-6,8H2,1-3H3,(H,17,18).
What are the key properties of 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).