3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

C10H15F3N2O3 — CID 63710928

IUPAC3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O3/c1-15(5-2-7(16)17)8(18)9(10(11,12)13)3-4-14-6-9/h14H,2-6H2,1H3,(H,16,17)
InChIKeyZZOPBZCSWXKRQK-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds4

About 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 63710928) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID63710928
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O3/c1-15(5-2-7(16)17)8(18)9(10(11,12)13)3-4-14-6-9/h14H,2-6H2,1H3,(H,16,17)
InChIKeyZZOPBZCSWXKRQK-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 63710928) is 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is ZZOPBZCSWXKRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-15(5-2-7(16)17)8(18)9(10(11,12)13)3-4-14-6-9/h14H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 63710928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).