(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid

C16H16N2O3 — CID 51663819

IUPAC(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(18-11-3-4-14(18)16(20)21)12-5-7-13(8-6-12)17-9-1-2-10-17/h1-2,5-10,14H,3-4,11H2,(H,20,21)/t14-/m1/s1
InChIKeyVKBOINBJTKQYHR-CQSZACIVSA-N
MW284.31 g/mol
LogP2.17
Rot. Bonds3

About (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 51663819) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID51663819
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(18-11-3-4-14(18)16(20)21)12-5-7-13(8-6-12)17-9-1-2-10-17/h1-2,5-10,14H,3-4,11H2,(H,20,21)/t14-/m1/s1
InChIKeyVKBOINBJTKQYHR-CQSZACIVSA-N
XLogP2.17
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555
(2R)-1-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371187
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119371394
(2S)-1-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 124696505
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid (CID 51663819) is (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VKBOINBJTKQYHR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(18-11-3-4-14(18)16(20)21)12-5-7-13(8-6-12)17-9-1-2-10-17/h1-2,5-10,14H,3-4,11H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51663819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).