1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H17F3N2O3 — CID 55226876

IUPAC1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCNCCC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-15-5-3-8(17)16-6-4-10(7-16,9(18)19)11(12,13)14/h15H,2-7H2,1H3,(H,18,19)
InChIKeyOGTCMNOGGQYLRK-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.85
Rot. Bonds5

About 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 55226876) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID55226876
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCNCCC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-15-5-3-8(17)16-6-4-10(7-16,9(18)19)11(12,13)14/h15H,2-7H2,1H3,(H,18,19)
InChIKeyOGTCMNOGGQYLRK-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-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

3-[3-Carboxypropyl(methyl)amino]propyl-dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 58587444
(3S)-N,N-dimethylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68475059
(3R)-N,N-dimethylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68476174
4-[Methyl-[4-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]butanoic acid
CID 140497336
(3R)-pyrrolidine-3-carboxylic acid;2,2,2-trifluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 159722594
(5S)-2-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170757471
(5S)-2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170759033
2-[1-(Trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 175981367
2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 175990541
4-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43170784
3-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43172732
3-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354914

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 55226876) is 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CCNCCC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OGTCMNOGGQYLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-15-5-3-8(17)16-6-4-10(7-16,9(18)19)11(12,13)14/h15H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).