2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid

C11H15F3N2O3 — CID 106216353

IUPAC2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(2-3-10)15-9(19)16-4-1-7(6-16)5-8(17)18/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyILVBYFTYUVBZPI-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.59
Rot. Bonds3

About 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid

2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid (PubChem CID 106216353) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid
PubChem CID106216353
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(2-3-10)15-9(19)16-4-1-7(6-16)5-8(17)18/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyILVBYFTYUVBZPI-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 65977559
2-[1-[Methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 65977809
2-[1-(3,3,3-Trifluoropropylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 65978790
2-[1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 65978979
2-[1-(2,2,2-Trifluoroethylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 65979309
2-[1-[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 65979569
2-[1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 65979767
2-[1-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 65979769
2-[1-(4,4,4-Trifluorobutan-2-ylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 105945121
1-[[1-(Trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 106216263
1-[[1-(Trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 106216315
2-[1-[[1-(Trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106216340

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid (CID 106216353) is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)NC2(C(F)(F)F)CC2)C1.
What is the InChIKey of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is ILVBYFTYUVBZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)10(2-3-10)15-9(19)16-4-1-7(6-16)5-8(17)18/h7H,1-6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid?
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 280.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 106216353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).