(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid

C12H16N2O5S — CID 122069680

IUPAC(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccncc1S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-2-19-10-5-6-13-8-11(10)20(17,18)14-7-3-4-9(14)12(15)16/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyBRSRHLNIDBMJFA-SECBINFHSA-N
MW300.34 g/mol
LogP0.72
Rot. Bonds5

About (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid (PubChem CID 122069680) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid
PubChem CID122069680
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccncc1S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-2-19-10-5-6-13-8-11(10)20(17,18)14-7-3-4-9(14)12(15)16/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyBRSRHLNIDBMJFA-SECBINFHSA-N
XLogP0.72
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 128570491
4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071113
(2S)-1-(5-bromo-2-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2422378
1-(3-ethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120728800
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 79373542
(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069813
(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069629
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 40516561

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid (CID 122069680) is (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid is CCOc1ccncc1S(=O)(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BRSRHLNIDBMJFA-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-2-19-10-5-6-13-8-11(10)20(17,18)14-7-3-4-9(14)12(15)16/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122069680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).