1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C10H10ClNO3S — CID 22557517

IUPAC1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO3S/c11-8-4-3-7(16-8)9(13)12-5-1-2-6(12)10(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyTVIXLMZTSWAKCN-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.09
Rot. Bonds2

About 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 22557517) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID22557517
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO3S/c11-8-4-3-7(16-8)9(13)12-5-1-2-6(12)10(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyTVIXLMZTSWAKCN-UHFFFAOYSA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

l-Proline, N-(2-thienylcarbonyl)-, methyl ester
CID 531389
1-(Thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 2740713
N-[(5-Chloro-2-thienyl)carbonyl]glycine
CID 43239030
1-[(5-Chloro-2-thienyl)carbonyl]pyrrolidine
CID 1247382
(2R)-2-[(5-chlorothiophen-2-yl)formamido]-3-methylbutanoic acid
CID 79011308
(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 714593
1-{[5-(3-Hydroxy-3-methyl-1-butyn-1-yl)-2-thienyl]carbonyl}proline
CID 2965196
(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 714595
[(2S,4R)-1-[(5-chloro-2-thienyl)carbonyl]-4-(dimethylamino)pyrrolidin-2-yl]methanol
CID 91763343
(2S)-1-[2-(5-chlorothiophen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 96669342
(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103804265
(2S)-1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 121860091

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 22557517) is 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is TVIXLMZTSWAKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-8-4-3-7(16-8)9(13)12-5-1-2-6(12)10(14)15/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 259.71 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22557517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).