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

C10H9Cl2NO3S — CID 103804265

IUPAC(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H9Cl2NO3S/c11-7-4-5(8(12)17-7)9(14)13-3-1-2-6(13)10(15)16/h4,6H,1-3H2,(H,15,16)/t6-/m0/s1
InChIKeyMZXGOOXDDTUDJT-LURJTMIESA-N
MW294.16 g/mol
LogP2.74
Rot. Bonds2

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

(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 103804265) has the molecular formula C10H9Cl2NO3S and a molecular weight of 294.16 g/mol. Its IUPAC name is (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID103804265
Molecular FormulaC10H9Cl2NO3S
Molecular Weight294.16 g/mol
Exact Mass292.97
IUPAC Name(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H9Cl2NO3S/c11-7-4-5(8(12)17-7)9(14)13-3-1-2-6(13)10(15)16/h4,6H,1-3H2,(H,15,16)/t6-/m0/s1
InChIKeyMZXGOOXDDTUDJT-LURJTMIESA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 22557517
1-(3-Thienylcarbonyl)-L-proline
CID 30048572
(2R)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 51885488
(2S)-1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 51885490
1-(Thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 16776619
(2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30048576
1-(2,5-dichlorothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60362758
Methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate
CID 78882877
(2S)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79684785
(2R)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79685356
1-(5-Iodothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79685539
(2,5-Dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86817257

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 103804265) is (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MZXGOOXDDTUDJT-LURJTMIESA-N. The full InChI is InChI=1S/C10H9Cl2NO3S/c11-7-4-5(8(12)17-7)9(14)13-3-1-2-6(13)10(15)16/h4,6H,1-3H2,(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 294.16 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103804265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).