1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid

C11H18N2O2 — CID 106978796

IUPAC1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C#N
InChIInChI=1S/C11H18N2O2/c1-3-5-11(10(14)15)6-4-7-13(11)9(2)8-12/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyHBECHYPMRNKSQS-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.62
Rot. Bonds4

About 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid

1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978796) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978796
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C#N
InChIInChI=1S/C11H18N2O2/c1-3-5-11(10(14)15)6-4-7-13(11)9(2)8-12/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyHBECHYPMRNKSQS-UHFFFAOYSA-N
XLogP1.62
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyanoethyl)-2-propylpyrrolidine-2-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

Related Compounds

1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(2-methylpropylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977418
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
1-[1-(5-bromothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979384
1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979370
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979397
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978796) is 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(C)C#N.
What is the InChIKey of 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is HBECHYPMRNKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-11(10(14)15)6-4-7-13(11)9(2)8-12/h9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).