(2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H10INO3S — CID 79684785

IUPAC(2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H10INO3S/c11-8-4-6(5-16-8)9(13)12-3-1-2-7(12)10(14)15/h4-5,7H,1-3H2,(H,14,15)/t7-/m0/s1
InChIKeyPJVPDMSQDJOKTF-ZETCQYMHSA-N
MW351.17 g/mol
LogP2.04
Rot. Bonds2

About (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 79684785) has the molecular formula C10H10INO3S and a molecular weight of 351.17 g/mol. Its IUPAC name is (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID79684785
Molecular FormulaC10H10INO3S
Molecular Weight351.17 g/mol
Exact Mass350.94
IUPAC Name(2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H10INO3S/c11-8-4-6(5-16-8)9(13)12-3-1-2-7(12)10(14)15/h4-5,7H,1-3H2,(H,14,15)/t7-/m0/s1
InChIKeyPJVPDMSQDJOKTF-ZETCQYMHSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 79684785) is (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1csc(I)c1.
What is the InChIKey of (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PJVPDMSQDJOKTF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10INO3S/c11-8-4-6(5-16-8)9(13)12-3-1-2-7(12)10(14)15/h4-5,7H,1-3H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 351.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79684785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).