(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid

C15H15N3O2 — CID 122051768

IUPAC(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cncc(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-7-4-8-18(13)14-10-16-9-12(17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,19,20)/t13-/m1/s1
InChIKeyQCEPBXFKUVCLGQ-CYBMUJFWSA-N
MW269.30 g/mol
LogP2.20
Rot. Bonds3

About (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122051768) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID122051768
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cncc(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-7-4-8-18(13)14-10-16-9-12(17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,19,20)/t13-/m1/s1
InChIKeyQCEPBXFKUVCLGQ-CYBMUJFWSA-N
XLogP2.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
(2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 59867508
1-(5-oxo-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 53212749
(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 120965088
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(3aS,6aR)-2-(6-phenylpyrazin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063245
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767481
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid (CID 122051768) is (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1cncc(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is QCEPBXFKUVCLGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)13-7-4-8-18(13)14-10-16-9-12(17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).