(3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

C16H21N3O3 — CID 72921220

IUPAC(3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1ccccn1
InChIInChI=1S/C16H21N3O3/c20-15(21)13-10-19(16(22)18-11-5-1-2-6-11)9-12(13)14-7-3-4-8-17-14/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,18,22)(H,20,21)/t12-,13-/m1/s1
InChIKeyHKERVMZZDGMYSV-CHWSQXEVSA-N
MW303.36 g/mol
LogP1.83
Rot. Bonds3

About (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 72921220) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID72921220
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1ccccn1
InChIInChI=1S/C16H21N3O3/c20-15(21)13-10-19(16(22)18-11-5-1-2-6-11)9-12(13)14-7-3-4-8-17-14/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,18,22)(H,20,21)/t12-,13-/m1/s1
InChIKeyHKERVMZZDGMYSV-CHWSQXEVSA-N
XLogP1.83
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (CID 72921220) is (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1ccccn1.
What is the InChIKey of (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is HKERVMZZDGMYSV-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15(21)13-10-19(16(22)18-11-5-1-2-6-11)9-12(13)14-7-3-4-8-17-14/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,18,22)(H,20,21)/t12-,13-/m1/s1.
What are the key properties of (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(cyclopentylcarbamoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72921220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).