1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid

C14H23N3O3 — CID 63152235

IUPAC1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C14H23N3O3/c1-3-5-14(13(19)20)6-9-17(11-14)10-12(18)16(2)8-4-7-15/h3-6,8-11H2,1-2H3,(H,19,20)
InChIKeyUVLBELBHTMYCQS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.94
Rot. Bonds7

About 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63152235) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63152235
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C14H23N3O3/c1-3-5-14(13(19)20)6-9-17(11-14)10-12(18)16(2)8-4-7-15/h3-6,8-11H2,1-2H3,(H,19,20)
InChIKeyUVLBELBHTMYCQS-UHFFFAOYSA-N
XLogP0.94
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-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

Related Compounds

1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140475
N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
CID 63160697
1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148411
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
1-(2-cyanoethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148826
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
1-(5-cyano-5-methylhexyl)-3-propylpyrrolidine-3-carboxylic acid
CID 106713211

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63152235) is 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CC(=O)N(C)CCC#N)C1.
What is the InChIKey of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is UVLBELBHTMYCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-14(13(19)20)6-9-17(11-14)10-12(18)16(2)8-4-7-15/h3-6,8-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).