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

C10H10ClNO3S — CID 51885490

IUPAC(2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=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)/t6-/m0/s1
InChIKeyTVIXLMZTSWAKCN-LURJTMIESA-N
MW259.71 g/mol
LogP2.09
Rot. Bonds2

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

(2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 51885490) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID51885490
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name(2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=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)/t6-/m0/s1
InChIKeyTVIXLMZTSWAKCN-LURJTMIESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 51885490) is (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is TVIXLMZTSWAKCN-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-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 (2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51885490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).