2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid

C8H11F3N2O3 — CID 63710394

IUPAC2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)7(1-2-12-4-7)6(16)13-3-5(14)15/h12H,1-4H2,(H,13,16)(H,14,15)
InChIKeyWQILVUHAPYFXAV-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.27
Rot. Bonds3

About 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid

2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 63710394) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID63710394
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)7(1-2-12-4-7)6(16)13-3-5(14)15/h12H,1-4H2,(H,13,16)(H,14,15)
InChIKeyWQILVUHAPYFXAV-UHFFFAOYSA-N
XLogP-0.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid (CID 63710394) is 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is WQILVUHAPYFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)7(1-2-12-4-7)6(16)13-3-5(14)15/h12H,1-4H2,(H,13,16)(H,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 240.18 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 63710394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).