5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid

C15H19NO4S — CID 129470637

IUPAC5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)s1
InChIInChI=1S/C15H19NO4S/c17-14(12-3-4-13(21-12)15(18)19)16-7-1-2-11(16)10-5-8-20-9-6-10/h3-4,10-11H,1-2,5-9H2,(H,18,19)/t11-/m1/s1
InChIKeyGNLXWZNRIUBMAG-LLVKDONJSA-N
MW309.39 g/mol
LogP2.48
Rot. Bonds3

About 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid

5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 129470637) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID129470637
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)s1
InChIInChI=1S/C15H19NO4S/c17-14(12-3-4-13(21-12)15(18)19)16-7-1-2-11(16)10-5-8-20-9-6-10/h3-4,10-11H,1-2,5-9H2,(H,18,19)/t11-/m1/s1
InChIKeyGNLXWZNRIUBMAG-LLVKDONJSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 129470732
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-bromothiophen-2-yl)methanone
CID 60630423
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-chloro-5-(oxan-4-yl)thiophen-3-yl]methanone
CID 59542566
5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 58714770
5-[(4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl]thiophene-2-carboxylic acid
CID 125120150
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
5-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574551
5-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl]furan-2-carboxylic acid
CID 124574603
5-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574550
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid (CID 129470637) is 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)s1.
What is the InChIKey of 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is GNLXWZNRIUBMAG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-14(12-3-4-13(21-12)15(18)19)16-7-1-2-11(16)10-5-8-20-9-6-10/h3-4,10-11H,1-2,5-9H2,(H,18,19)/t11-/m1/s1.
What are the key properties of 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 129470637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).