1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid

C14H26N2O3 — CID 63145413

IUPAC1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CC(C)NCC)C1
InChIInChI=1S/C14H26N2O3/c1-4-6-14(13(18)19)7-8-16(10-14)12(17)9-11(3)15-5-2/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyUPMGZOKGNBKWCJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds7

About 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63145413) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63145413
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CC(C)NCC)C1
InChIInChI=1S/C14H26N2O3/c1-4-6-14(13(18)19)7-8-16(10-14)12(17)9-11(3)15-5-2/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyUPMGZOKGNBKWCJ-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(ethylamino)butanoyl]-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-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103155845
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 64605109
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
1-(3-methylsulfonylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146034
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149265
1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145817

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63145413) is 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CC(C)NCC)C1.
What is the InChIKey of 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is UPMGZOKGNBKWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-14(13(18)19)7-8-16(10-14)12(17)9-11(3)15-5-2/h11,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).