1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H25NO4 — CID 106982524

IUPAC1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOCCCC(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25NO4/c1-4-19-9-5-6-12(16)15-8-7-14(10-15,11(2)3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyURBDVEIKUVCCME-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.76
Rot. Bonds7

About 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106982524) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106982524
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOCCCC(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25NO4/c1-4-19-9-5-6-12(16)15-8-7-14(10-15,11(2)3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyURBDVEIKUVCCME-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-ethoxybutanoyl)-3-propan-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

Related Compounds

4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707058
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981476
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 107160140
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
1-[cyclopentyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983703
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106982524) is 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CCOCCCC(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is URBDVEIKUVCCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-19-9-5-6-12(16)15-8-7-14(10-15,11(2)3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).