1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid

C10H13F3N2O3 — CID 79309163

IUPAC1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)9(1-2-14-5-9)8(18)15-3-6(4-15)7(16)17/h6,14H,1-5H2,(H,16,17)
InChIKeyMGSDTSJHGWWMQZ-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.07
Rot. Bonds2

About 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid

1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid (PubChem CID 79309163) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid
PubChem CID79309163
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)9(1-2-14-5-9)8(18)15-3-6(4-15)7(16)17/h6,14H,1-5H2,(H,16,17)
InChIKeyMGSDTSJHGWWMQZ-UHFFFAOYSA-N
XLogP0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid (CID 79309163) is 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid?
The InChIKey is MGSDTSJHGWWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c11-10(12,13)9(1-2-14-5-9)8(18)15-3-6(4-15)7(16)17/h6,14H,1-5H2,(H,16,17).
What are the key properties of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid?
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid has a molecular weight of 266.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 79309163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).