1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H15F3N2O3 — CID 63709423

IUPAC1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCNC(C)C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-6(14-2)7(16)15-4-3-9(5-15,8(17)18)10(11,12)13/h6,14H,3-5H2,1-2H3,(H,17,18)
InChIKeyBOJDUXCNDBBSKQ-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds3

About 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709423) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709423
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCNC(C)C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-6(14-2)7(16)15-4-3-9(5-15,8(17)18)10(11,12)13/h6,14H,3-5H2,1-2H3,(H,17,18)
InChIKeyBOJDUXCNDBBSKQ-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709423) is 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CNC(C)C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BOJDUXCNDBBSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6(14-2)7(16)15-4-3-9(5-15,8(17)18)10(11,12)13/h6,14H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).