1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

C13H17N3O3 — CID 61185230

IUPAC1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCCc1ccccn1
InChIInChI=1S/C13H17N3O3/c17-12(18)11-5-3-9-16(11)13(19)15-8-6-10-4-1-2-7-14-10/h1-2,4,7,11H,3,5-6,8-9H2,(H,15,19)(H,17,18)
InChIKeyVHRNOOZWQPSPNO-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.88
Rot. Bonds4

About 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61185230) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61185230
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCCc1ccccn1
InChIInChI=1S/C13H17N3O3/c17-12(18)11-5-3-9-16(11)13(19)15-8-6-10-4-1-2-7-14-10/h1-2,4,7,11H,3,5-6,8-9H2,(H,15,19)(H,17,18)
InChIKeyVHRNOOZWQPSPNO-UHFFFAOYSA-N
XLogP0.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
(2S)-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78927419
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
(2S)-1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184444
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
4-methyl-1-(pyridin-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425193

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61185230) is 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)NCCc1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VHRNOOZWQPSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(18)11-5-3-9-16(11)13(19)15-8-6-10-4-1-2-7-14-10/h1-2,4,7,11H,3,5-6,8-9H2,(H,15,19)(H,17,18).
What are the key properties of 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61185230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).